data_2rsf_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 2rsf _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 ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 CA--C 1.542 0.665 0 N-CA-C 110.756 -0.091 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.0 mt -80.27 -169.78 2.23 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.504 1.521 . . . . 0.0 112.849 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 m -114.47 159.5 36.61 Favored Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 127.561 2.344 . . . . 0.0 111.394 -176.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -60.45 -26.78 83.54 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.978 3.119 . . . . 0.0 112.986 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -83.85 -11.74 56.55 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -87.36 -51.2 6.08 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.617 1.167 . . . . 0.0 111.249 176.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.1 mt -58.43 -49.61 76.67 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.836 1.654 . . . . 0.0 111.037 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -58.75 -40.6 84.3 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.162 173.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.613 0 CA-C-N 119.088 0.858 . . . . 0.0 112.874 -179.261 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.438 0 N-CA-C 111.481 0.178 . . . . 0.0 111.481 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -170.21 150.1 3.59 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.212 1.405 . . . . 0.0 113.727 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -152.2 156.58 40.05 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.748 1.619 . . . . 0.0 110.75 176.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -115.06 148.55 38.75 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.568 1.147 . . . . 0.0 110.369 172.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -138.74 159.67 41.55 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.972 1.309 . . . . 0.0 111.953 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -140.02 149.11 42.79 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.734 1.614 . . . . 0.0 111.128 174.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -79.35 113.21 17.31 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.618 -0.676 . . . . 0.0 111.789 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -97.37 -164.16 31.98 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 124.863 1.221 . . . . 0.0 111.774 168.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 67.1 ttt-85 -58.27 -43.74 88.09 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.451 1.1 . . . . 0.0 113.23 -177.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -105.45 -4.36 21.45 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 -169.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 148.4 -164.56 29.03 Favored Glycine 0 N--CA 1.472 1.036 0 C-N-CA 125.664 1.602 . . . . 0.0 113.238 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -68.73 131.5 45.28 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.076 0.951 . . . . 0.0 111.819 172.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -128.75 141.71 51.23 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.138 1.375 . . . . 0.0 110.974 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -81.4 141.78 33.62 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.037 0.935 . . . . 0.0 111.93 -169.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -69.24 160.14 31.73 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.061 0.945 . . . . 0.0 113.013 169.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.11 148.96 51.03 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.516 0.726 . . . . 0.0 110.59 169.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -64.63 -20.89 66.55 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.27 -39.48 94.71 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.745 1.618 . . . . 0.0 111.811 169.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.4 m -95.51 -49.19 5.52 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 127.216 2.206 . . . . 0.0 112.698 -170.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.6 p -61.86 -30.04 70.59 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -174.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -26.22 68.36 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.53 0.732 . . . . 0.0 112.934 173.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -76.08 -39.9 54.33 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.698 0.681 . . . . 0.0 109.847 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.9 mt -66.69 -44.28 82.16 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.628 1.571 . . . . 0.0 110.731 176.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -63.48 -30.22 71.37 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.122 1.369 . . . . 0.0 112.883 175.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -80.76 -28.54 36.39 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.063 -1.023 . . . . 0.0 111.476 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.17 -46.08 75.05 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -173.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -70.85 -19.57 62.63 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.659 0.663 . . . . 0.0 111.84 174.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.4 t -81.67 -31.83 32.07 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.885 1.274 . . . . 0.0 112.373 175.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -73.01 -42.49 63.16 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.093 1.357 . . . . 0.0 111.602 173.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.01 -6.85 9.4 Favored Glycine 0 C--N 1.341 0.827 0 C-N-CA 125.1 1.333 . . . . 0.0 114.091 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.18 153.29 42.82 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.197 1.499 . . . . 0.0 112.759 175.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -96.21 -6.83 37.24 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.317 1.447 . . . . 0.0 113.285 -176.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -166.45 142.02 4.58 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.659 1.984 . . . . 0.0 110.038 178.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.8 t -128.29 -179.97 5.3 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.104 1.361 . . . . 0.0 111.533 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -130.6 146.7 52.16 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 126.128 1.771 . . . . 0.0 111.42 -173.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.3 ptt? -151.31 146.59 26.13 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.872 1.269 . . . . 0.0 112.103 -174.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.95 142.13 33.71 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.697 1.599 . . . . 0.0 109.877 176.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.18 -151.62 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.901 1.28 . . . . 0.0 111.862 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.02 -17.88 29.33 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.91 17.39 0.03 OUTLIER Glycine 0 CA--C 1.533 1.2 0 N-CA-C 116.406 1.322 . . . . 0.0 116.406 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -150.45 152.03 33.65 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.708 1.254 . . . . 0.0 112.155 -170.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.72 124.38 37.68 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 169.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -113.36 130.88 56.17 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.799 1.24 . . . . 0.0 111.224 171.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.8 t -86.56 118.8 33.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 C-N-CA 125.38 1.472 . . . . 0.0 107.056 171.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.66 108.87 21.19 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.929 1.292 . . . . 0.0 109.165 175.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -85.74 119.82 26.49 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 125.043 1.337 . . . . 0.0 110.268 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.2 mp -86.28 -18.98 30.6 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.801 1.24 . . . . 0.0 112.315 -175.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -73.83 -47.54 37.73 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.382 1.073 . . . . 0.0 112.072 -177.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -98.68 -9.5 24.55 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.494 1.517 . . . . 0.0 111.767 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 56.21 70.15 0.67 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.566 1.946 . . . . 0.0 110.839 -173.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.6 m -143.57 168.71 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 125.179 1.392 . . . . 0.0 111.529 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -126.07 153.06 44.99 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.654 1.581 . . . . 0.0 111.07 171.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -162.47 160.78 26.64 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.927 1.691 . . . . 0.0 112.304 175.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -73.5 147.59 43.92 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.227 -0.921 . . . . 0.0 111.112 171.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 72.3 mtp85 -51.34 -33.58 29.99 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -176.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -85.29 -9.77 57.29 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 113.944 1.091 . . . . 0.0 113.944 -178.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -102.58 121.82 43.16 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.221 1.409 . . . . 0.0 111.122 -174.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -93.78 -33.35 13.62 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.727 1.211 . . . . 0.0 113.709 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -96.81 -65.73 0.92 Allowed Glycine 0 N--CA 1.468 0.831 0 C-N-CA 125.197 1.379 . . . . 0.0 113.152 -172.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -68.21 128.45 36.61 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.927 0.891 . . . . 0.0 110.995 -171.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 32.4 ptt-85 -155.67 150.28 26.13 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.105 1.362 . . . . 0.0 111.733 -170.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 45.2 ttm105 -117.36 138.84 51.53 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 126.197 1.799 . . . . 0.0 109.735 -176.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -69.04 139.85 54.91 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -175.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.4 pt -126.41 168.28 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.287 1.435 . . . . 0.0 110.66 169.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -156.53 165.85 35.11 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.906 1.282 . . . . 0.0 113.228 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.2 mtp-105 -100.55 151.3 21.75 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.996 1.319 . . . . 0.0 109.104 165.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.87 -178.86 7.0 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.521 1.529 . . . . 0.0 111.235 174.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.2 mm -133.31 138.71 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 125.714 1.606 . . . . 0.0 109.506 -172.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.2 mp -86.17 140.43 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.746 0.818 . . . . 0.0 111.111 175.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -99.62 -16.59 18.17 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 -176.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 25.8 mm . . . . . 0 N--CA 1.484 1.263 0 C-N-CA 129.279 3.032 . . . . 0.0 112.157 176.626 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mt . . . . . 0 CA--C 1.539 0.555 0 N-CA-C 111.496 0.184 . . . . 0.0 111.496 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.9 mt -79.71 -177.97 6.15 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.827 1.251 . . . . 0.0 113.179 -176.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.8 m -95.19 157.93 35.61 Favored Pre-proline 0 CA--C 1.542 0.673 0 C-N-CA 126.406 1.883 . . . . 0.0 112.267 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -61.5 -23.86 77.3 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 124.111 3.207 . . . . 0.0 113.29 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -86.77 -11.34 51.31 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.511 1.124 . . . . 0.0 113.718 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -86.31 -51.41 6.26 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.604 1.162 . . . . 0.0 111.121 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 mt -62.13 -48.07 81.75 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.871 1.668 . . . . 0.0 110.877 -176.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -65.4 -31.19 72.16 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 176.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.59 0 CA-C-N 119.049 0.841 . . . . 0.0 112.907 174.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 111.532 0.197 . . . . 0.0 111.532 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -172.69 148.74 1.95 Allowed 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.19 1.396 . . . . 0.0 112.471 -175.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -155.17 151.17 27.88 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.013 1.325 . . . . 0.0 111.695 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 49.7 m95 -108.28 147.81 30.91 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.845 1.258 . . . . 0.0 109.697 169.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -136.63 161.33 36.2 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.879 1.272 . . . . 0.0 111.869 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -139.82 149.16 43.15 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.226 1.81 . . . . 0.0 111.021 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -77.12 133.6 38.95 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.483 0.658 . . . . 0.0 111.906 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -129.55 -168.16 12.27 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 126.369 1.938 . . . . 0.0 112.153 168.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -53.57 -42.67 67.8 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.306 1.442 . . . . 0.0 114.132 -171.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -106.51 -2.85 21.5 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 -172.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 146.15 -160.97 28.27 Favored Glycine 0 N--CA 1.471 1.023 0 C-N-CA 125.826 1.679 . . . . 0.0 113.203 178.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 93.9 m95 -70.51 136.47 49.41 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.044 0.938 . . . . 0.0 111.968 171.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -131.06 143.32 50.6 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.814 1.646 . . . . 0.0 110.481 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -86.07 141.87 29.13 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.59 0.756 . . . . 0.0 111.785 -169.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -69.25 154.34 42.21 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.65 0.78 . . . . 0.0 112.646 169.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -75.55 156.57 34.91 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.331 0.652 . . . . 0.0 110.855 170.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.94 -19.77 65.0 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -176.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -67.81 -33.93 75.76 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.812 0.845 . . . . 0.0 111.746 170.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.0 m -95.52 -50.19 5.08 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.987 2.115 . . . . 0.0 112.625 -170.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.4 p -63.12 -26.61 68.9 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -29.15 70.51 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 118.648 -0.691 . . . . 0.0 112.361 172.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -69.29 -39.17 78.49 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.429 1.013 . . . . 0.0 110.023 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.6 mt -69.9 -42.76 72.94 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.923 1.689 . . . . 0.0 111.0 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.45 -36.05 82.92 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.21 1.004 . . . . 0.0 112.908 172.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -74.27 -37.46 63.7 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 120.61 -1.306 . . . . 0.0 110.693 -177.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.34 -50.2 72.57 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.514 1.526 . . . . 0.0 114.431 -176.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.97 -24.47 66.06 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.895 0.77 . . . . 0.0 111.267 176.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.4 t -78.46 -32.83 48.6 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.673 1.189 . . . . 0.0 112.587 176.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -72.42 -41.99 65.59 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.983 1.313 . . . . 0.0 111.614 174.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.7 -7.1 8.96 Favored Glycine 0 C--N 1.34 0.8 0 C-N-CA 125.087 1.327 . . . . 0.0 113.968 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -65.67 150.36 48.61 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.116 1.458 . . . . 0.0 112.381 173.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -96.02 -3.94 44.01 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.246 1.419 . . . . 0.0 113.214 -176.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -166.89 141.28 3.96 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 126.502 1.921 . . . . 0.0 109.783 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 t -130.93 179.56 5.91 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.436 1.095 . . . . 0.0 112.356 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -127.87 146.69 50.54 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.77 1.628 . . . . 0.0 111.621 -170.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -154.87 147.61 24.38 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.842 1.257 . . . . 0.0 112.377 -173.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.8 144.01 31.69 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.917 1.687 . . . . 0.0 110.308 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.92 -150.72 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.171 1.389 . . . . 0.0 112.031 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.96 -17.33 23.67 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.78 13.45 0.03 OUTLIER Glycine 0 CA--C 1.534 1.254 0 N-CA-C 116.576 1.39 . . . . 0.0 116.576 178.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -147.46 157.47 43.59 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.999 1.4 . . . . 0.0 112.09 -169.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.29 124.62 43.01 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.769 1.227 . . . . 0.0 107.975 173.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -110.43 130.57 55.53 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 124.481 1.112 . . . . 0.0 111.631 170.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.2 t -88.09 115.9 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 C-N-CA 125.532 1.533 . . . . 0.0 106.87 169.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.57 113.15 24.81 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.219 1.408 . . . . 0.0 109.518 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -89.08 119.6 29.73 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.309 1.444 . . . . 0.0 110.6 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.6 mp -85.32 -9.38 57.72 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.727 1.611 . . . . 0.0 112.867 -173.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -93.86 -47.79 6.58 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.426 1.09 . . . . 0.0 111.666 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -88.22 -12.42 43.83 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.741 1.616 . . . . 0.0 112.093 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.0 mmt 55.53 59.42 3.9 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.506 1.922 . . . . 0.0 111.617 -174.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.8 m -139.54 163.37 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 124.548 1.139 . . . . 0.0 111.55 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -124.3 147.8 47.88 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.369 1.468 . . . . 0.0 111.13 171.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -157.04 161.54 39.52 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.737 1.615 . . . . 0.0 112.108 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -77.38 149.68 35.17 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.895 0.878 . . . . 0.0 110.502 175.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 69.3 mtp85 -53.01 -30.7 36.88 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 -171.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -92.81 -4.21 53.4 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -103.83 154.16 19.92 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.938 1.695 . . . . 0.0 112.058 -173.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -135.98 -32.94 0.86 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.773 1.629 . . . . 0.0 113.514 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.8 -57.21 1.64 Allowed Glycine 0 N--CA 1.47 0.938 0 C-N-CA 124.922 1.248 . . . . 0.0 112.322 -175.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -67.83 111.89 4.57 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.23 1.012 . . . . 0.0 109.712 174.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -151.46 143.31 23.79 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.73 1.612 . . . . 0.0 110.893 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -112.67 136.78 51.85 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.322 1.449 . . . . 0.0 109.568 -176.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -63.09 145.79 54.69 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.108 0.963 . . . . 0.0 113.201 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.3 pt -124.53 169.29 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.52 1.528 . . . . 0.0 110.01 168.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.7 pttt -155.24 167.79 29.2 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.864 1.266 . . . . 0.0 112.413 174.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -113.34 145.31 41.3 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.992 1.717 . . . . 0.0 109.766 169.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.79 178.5 9.58 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.006 1.323 . . . . 0.0 112.327 -177.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.6 mm -129.76 138.64 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 126.082 1.753 . . . . 0.0 109.86 -176.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.3 mp -88.61 140.76 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.763 0.825 . . . . 0.0 110.823 173.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -103.32 -16.0 15.78 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.9 mm . . . . . 0 N--CA 1.487 1.398 0 C-N-CA 128.847 2.859 . . . . 0.0 112.904 171.864 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.541 0.608 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.4 mt -92.32 -174.0 3.58 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.159 1.384 . . . . 0.0 112.487 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 m -103.93 158.87 30.99 Favored Pre-proline 0 CA--C 1.54 0.596 0 C-N-CA 126.837 2.055 . . . . 0.0 111.94 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -60.87 -25.23 80.94 Favored 'Trans proline' 0 CA--C 1.534 0.506 0 C-N-CA 123.983 3.122 . . . . 0.0 113.022 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -85.5 -11.05 55.17 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 176.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -86.95 -51.67 5.9 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.742 1.217 . . . . 0.0 110.997 174.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 mt -61.91 -47.83 83.18 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.859 1.663 . . . . 0.0 110.886 -176.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -62.77 -36.76 84.12 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 173.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.64 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.964 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.535 0.367 0 CA-C-O 120.573 0.225 . . . . 0.0 111.352 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -171.65 151.17 2.86 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.476 1.511 . . . . 0.0 111.899 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -151.13 147.36 26.96 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.504 1.522 . . . . 0.0 110.167 176.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 37.8 m95 -107.83 147.55 30.74 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.441 1.096 . . . . 0.0 110.429 174.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -138.81 154.83 48.5 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.833 1.253 . . . . 0.0 111.588 -178.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -135.46 148.84 49.4 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.075 1.35 . . . . 0.0 111.165 172.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -78.09 103.16 7.85 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 118.136 0.425 . . . . 0.0 110.075 173.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.48 -136.81 9.51 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 125.316 1.436 . . . . 0.0 112.846 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -58.53 -31.51 67.99 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 -172.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -144.74 -10.73 0.6 Allowed 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -173.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 166.53 -161.49 35.21 Favored Glycine 0 N--CA 1.471 0.98 0 C-N-CA 124.969 1.271 . . . . 0.0 112.596 -176.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -67.56 124.95 24.67 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.107 0.963 . . . . 0.0 112.049 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -124.73 137.36 54.34 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 125.212 1.405 . . . . 0.0 110.101 174.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -79.94 137.47 36.88 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.671 0.788 . . . . 0.0 111.011 -172.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -68.81 158.34 34.61 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.0 0.92 . . . . 0.0 112.796 170.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -74.15 161.24 30.18 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.46 0.704 . . . . 0.0 111.279 174.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -70.17 -19.52 63.19 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.135 0.974 . . . . 0.0 113.277 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -70.23 -37.66 75.04 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.846 0.858 . . . . 0.0 111.685 171.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 50.4 m -93.9 -50.11 5.49 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.289 1.835 . . . . 0.0 112.715 -169.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.1 p -61.81 -29.57 70.24 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -175.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -28.89 70.36 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 118.847 -0.597 . . . . 0.0 112.271 173.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -71.16 -38.43 72.19 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.342 0.974 . . . . 0.0 110.144 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.7 mt -68.66 -43.59 75.87 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.823 1.649 . . . . 0.0 110.812 178.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -65.19 -33.51 76.17 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.199 1.4 . . . . 0.0 113.09 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -81.05 -34.07 33.05 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.123 -0.986 . . . . 0.0 111.469 -177.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.13 -50.09 74.7 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.103 1.361 . . . . 0.0 114.008 -176.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -68.69 -22.47 64.36 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 118.946 0.794 . . . . 0.0 112.476 175.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 t -78.95 -28.74 43.72 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.534 1.133 . . . . 0.0 112.428 175.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -77.33 -42.17 37.71 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.02 1.328 . . . . 0.0 111.961 174.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.73 -7.63 8.3 Favored Glycine 0 N--CA 1.469 0.895 0 C-N-CA 125.062 1.315 . . . . 0.0 114.129 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -66.0 150.85 48.02 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 118.95 1.375 . . . . 0.0 112.27 171.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -98.47 0.22 44.73 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.931 1.292 . . . . 0.0 113.556 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -170.51 152.29 3.89 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.721 2.008 . . . . 0.0 109.774 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 t -143.75 172.45 12.81 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.368 1.467 . . . . 0.0 111.153 -175.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -121.96 145.49 48.07 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.068 1.347 . . . . 0.0 111.519 -172.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.5 ptt? -151.18 147.96 27.66 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.04 1.336 . . . . 0.0 111.903 -173.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.05 141.35 36.36 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 125.716 1.607 . . . . 0.0 109.825 177.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -119.2 -152.26 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.691 1.196 . . . . 0.0 111.779 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.76 -15.78 22.76 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 115.594 1.702 . . . . 0.0 115.594 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.73 14.82 0.03 OUTLIER Glycine 0 CA--C 1.533 1.195 0 N-CA-C 116.747 1.459 . . . . 0.0 116.747 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -149.53 152.38 35.47 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.869 1.334 . . . . 0.0 112.179 -169.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.49 125.42 36.22 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.55 1.14 . . . . 0.0 108.335 169.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -117.52 138.19 52.06 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.476 1.111 . . . . 0.0 111.603 170.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.6 t -92.97 122.48 44.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 126.03 1.732 . . . . 0.0 107.174 173.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.86 119.06 38.13 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.163 1.385 . . . . 0.0 109.692 175.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -103.17 117.44 34.53 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.333 1.853 . . . . 0.0 111.139 -173.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.5 mt -77.24 -20.99 54.46 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.46 1.504 . . . . 0.0 113.05 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -67.1 -51.08 58.66 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.969 0.804 . . . . 0.0 112.391 -178.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -102.01 -8.81 21.16 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.979 1.712 . . . . 0.0 111.972 -176.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 56.32 63.33 2.02 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.847 2.059 . . . . 0.0 111.472 -171.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 26.7 m -139.42 171.59 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 C-N-CA 124.604 1.162 . . . . 0.0 111.317 178.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -144.28 141.7 29.98 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.092 0.957 . . . . 0.0 111.694 174.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -157.26 167.18 31.07 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.945 1.698 . . . . 0.0 113.983 -169.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -72.03 143.97 48.95 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 121.234 -0.916 . . . . 0.0 111.679 170.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 72.5 mtp85 -47.37 -38.2 12.63 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.175 1.39 . . . . 0.0 114.63 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -99.15 -8.44 25.14 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -178.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -122.48 78.59 1.53 Allowed 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 122.422 1.106 . . . . 0.0 111.644 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -66.18 -15.45 63.15 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 115.25 -0.887 . . . . 0.0 112.663 172.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -87.5 -5.78 78.39 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.756 1.646 . . . . 0.0 114.365 174.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -117.8 87.98 2.82 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.865 1.332 . . . . 0.0 109.701 176.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -132.72 149.81 52.24 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 113.911 -1.495 . . . . 0.0 113.271 -169.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -125.13 140.44 52.88 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.665 1.986 . . . . 0.0 109.808 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -62.4 142.81 57.66 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.256 1.022 . . . . 0.0 112.477 175.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.1 pt -125.77 167.21 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.858 1.263 . . . . 0.0 111.083 170.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 43.9 pttt -155.52 167.35 30.67 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.377 1.471 . . . . 0.0 113.228 175.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.2 mtp-105 -105.95 152.07 23.78 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.479 1.512 . . . . 0.0 109.63 166.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.84 177.53 10.02 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.611 1.564 . . . . 0.0 111.138 172.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.8 mm -128.7 137.6 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.125 1.37 . . . . 0.0 110.046 -174.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.4 mp -88.49 141.45 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.066 0.946 . . . . 0.0 111.001 174.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -103.38 -17.17 15.38 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.4 mm . . . . . 0 N--CA 1.487 1.424 0 C-N-CA 128.557 2.743 . . . . 0.0 112.95 172.15 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.2 mt -93.74 -174.68 3.52 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.137 1.375 . . . . 0.0 112.587 -176.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 m -104.47 159.14 30.31 Favored Pre-proline 0 CA--C 1.542 0.647 0 C-N-CA 127.106 2.162 . . . . 0.0 111.793 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -61.08 -24.95 80.44 Favored 'Trans proline' 0 CA--C 1.535 0.532 0 C-N-CA 124.014 3.143 . . . . 0.0 113.123 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -86.05 -11.68 52.18 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.561 1.144 . . . . 0.0 113.999 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -85.41 -51.49 6.51 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.461 1.104 . . . . 0.0 111.148 176.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.62 -47.41 85.54 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.768 1.627 . . . . 0.0 110.514 -176.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -61.84 -38.13 87.06 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.36 0.664 . . . . 0.0 112.476 173.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.556 0 CA-C-N 119.064 0.847 . . . . 0.0 112.807 178.585 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.433 0 N-CA-C 111.526 0.195 . . . . 0.0 111.526 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -171.15 149.38 2.84 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.213 1.405 . . . . 0.0 114.037 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -153.12 155.67 37.2 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.843 1.657 . . . . 0.0 110.686 177.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.7 m95 -113.54 149.72 34.0 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.29 1.036 . . . . 0.0 110.685 169.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -137.18 160.18 39.74 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.061 1.344 . . . . 0.0 111.804 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -133.57 148.31 51.6 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.928 1.691 . . . . 0.0 111.151 173.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -79.93 112.21 17.0 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.862 -0.524 . . . . 0.0 110.145 175.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -98.21 -161.15 30.47 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.803 1.192 . . . . 0.0 112.021 169.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 67.0 ttt-85 -60.52 -43.76 96.77 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.412 1.085 . . . . 0.0 113.098 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -105.73 -6.26 19.26 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -169.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.1 -161.89 28.83 Favored Glycine 0 N--CA 1.472 1.078 0 C-N-CA 125.665 1.602 . . . . 0.0 113.023 178.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -68.17 133.2 48.51 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.906 0.882 . . . . 0.0 112.344 172.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -130.25 139.7 50.75 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.47 1.508 . . . . 0.0 110.391 176.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -83.57 139.67 32.71 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.616 0.766 . . . . 0.0 111.742 -169.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -71.19 154.43 41.69 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.943 0.897 . . . . 0.0 112.281 169.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -64.99 157.25 28.79 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.298 1.039 . . . . 0.0 112.238 174.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -65.47 -18.9 65.67 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.169 0.987 . . . . 0.0 112.77 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 -90.39 -15.23 31.41 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.773 1.229 . . . . 0.0 112.519 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 77.0 m -105.59 -50.26 3.24 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.787 1.635 . . . . 0.0 111.333 -177.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.7 p -59.41 -29.12 67.51 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -29.29 70.48 Favored 'General case' 0 C--N 1.342 0.251 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 174.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.82 -39.33 69.87 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.023 0.829 . . . . 0.0 109.871 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.7 mt -68.51 -45.17 73.02 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.646 1.579 . . . . 0.0 110.677 178.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.2 tp10 -63.88 -31.72 72.99 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.168 1.387 . . . . 0.0 112.679 176.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -80.64 -38.65 28.8 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.221 1.008 . . . . 0.0 110.932 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.23 -50.08 75.06 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.958 1.303 . . . . 0.0 114.14 -176.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -68.63 -19.55 64.43 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 118.839 0.745 . . . . 0.0 111.957 176.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 t -83.29 -31.11 27.07 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.809 1.244 . . . . 0.0 112.605 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -73.31 -41.82 63.08 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.126 1.37 . . . . 0.0 111.806 175.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.69 -7.46 8.34 Favored Glycine 0 C--N 1.34 0.781 0 C-N-CA 125.044 1.307 . . . . 0.0 114.158 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -65.85 151.13 47.38 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.077 1.438 . . . . 0.0 112.346 172.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -99.16 0.35 43.24 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.264 1.426 . . . . 0.0 113.19 -175.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -171.39 147.09 2.38 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 126.904 2.082 . . . . 0.0 109.551 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.0 t -137.08 174.48 10.57 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.086 0.955 . . . . 0.0 112.441 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -121.16 145.04 48.23 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 126.07 1.748 . . . . 0.0 111.44 -171.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.4 ptt? -153.83 149.27 27.21 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.908 1.283 . . . . 0.0 112.576 -172.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.31 143.42 33.0 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.955 1.702 . . . . 0.0 110.294 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.93 -152.66 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 125.088 1.355 . . . . 0.0 112.003 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.26 -16.09 19.38 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.55 15.35 0.03 OUTLIER Glycine 0 CA--C 1.533 1.196 0 N-CA-C 116.74 1.456 . . . . 0.0 116.74 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -149.74 153.11 36.38 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.801 1.301 . . . . 0.0 112.069 -169.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.54 124.26 38.46 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.428 1.091 . . . . 0.0 108.122 169.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -113.45 134.62 54.56 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.777 1.231 . . . . 0.0 111.463 172.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.6 t -86.19 118.39 32.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 169.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.25 111.45 22.26 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.222 1.009 . . . . 0.0 108.784 170.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -85.88 110.85 19.7 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 125.216 1.406 . . . . 0.0 110.083 176.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.4 mp -83.23 -11.35 57.9 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.076 1.351 . . . . 0.0 112.145 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -70.45 -54.93 10.34 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.126 0.876 . . . . 0.0 111.973 174.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -101.58 -6.08 24.31 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.623 1.569 . . . . 0.0 112.325 -172.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.7 mmt 58.29 61.55 2.26 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.545 1.938 . . . . 0.0 111.24 -173.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.9 m -137.62 172.91 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.326 1.051 . . . . 0.0 110.925 174.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.0 142.85 27.94 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.155 0.982 . . . . 0.0 111.72 176.141 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -155.36 162.75 40.75 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.336 1.454 . . . . 0.0 113.88 -172.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -68.98 141.73 54.84 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.6 1.16 . . . . 0.0 111.249 171.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.6 mtp-105 -54.87 -31.27 59.51 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 114.36 1.245 . . . . 0.0 114.36 -172.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -81.55 -17.17 49.36 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -172.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -156.67 124.55 5.53 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 122.607 1.194 . . . . 0.0 112.871 177.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -76.95 -15.93 59.51 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.531 1.132 . . . . 0.0 114.038 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.55 -22.44 77.28 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 125.343 1.449 . . . . 0.0 113.6 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.6 mmm-85 -88.74 61.31 5.95 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.075 1.35 . . . . 0.0 110.206 175.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 23.0 ptt-85 -111.83 152.47 27.88 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.125 1.37 . . . . 0.0 114.26 -172.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -132.29 143.47 49.91 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 127.271 2.228 . . . . 0.0 109.796 175.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.69 148.55 46.16 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.003 1.321 . . . . 0.0 113.396 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 31.6 pt -131.23 169.92 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.189 1.396 . . . . 0.0 111.337 170.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -158.17 166.16 33.13 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.983 1.313 . . . . 0.0 113.198 174.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.3 mtp-105 -100.8 149.13 24.15 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.185 1.394 . . . . 0.0 108.922 165.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -151.84 -179.89 7.85 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.329 1.451 . . . . 0.0 111.459 174.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.4 mm -132.88 137.17 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 C-N-CA 125.644 1.578 . . . . 0.0 109.735 -171.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.2 mp -87.56 139.86 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.064 0.946 . . . . 0.0 110.891 176.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -103.62 -15.46 15.79 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 -178.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 24.6 mm . . . . . 0 N--CA 1.485 1.307 0 C-N-CA 129.278 3.031 . . . . 0.0 111.866 177.385 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 CA--C 1.542 0.647 0 N-CA-C 110.657 -0.127 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.2 mt -88.11 -165.73 1.4 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.924 1.69 . . . . 0.0 112.844 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.3 m -114.41 158.35 40.17 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 127.559 2.343 . . . . 0.0 111.369 -177.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -61.24 -24.95 79.88 Favored 'Trans proline' 0 CA--C 1.535 0.57 0 C-N-CA 124.092 3.195 . . . . 0.0 113.216 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -86.82 -11.73 50.05 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.488 1.115 . . . . 0.0 113.96 176.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -85.8 -51.28 6.52 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.394 1.078 . . . . 0.0 111.274 177.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 mt -58.86 -49.67 76.87 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.864 1.665 . . . . 0.0 110.577 -177.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -64.43 -34.06 77.31 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.65 0.78 . . . . 0.0 112.022 177.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.536 0 CA-C-N 118.891 0.769 . . . . 0.0 112.222 176.494 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.539 0.534 0 CA-C-O 120.517 0.199 . . . . 0.0 111.496 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -170.8 150.77 3.28 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.384 1.474 . . . . 0.0 112.349 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -152.99 156.73 39.39 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.268 1.427 . . . . 0.0 111.216 176.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -113.59 147.32 38.25 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 124.917 1.287 . . . . 0.0 110.51 172.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -138.2 158.28 44.61 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.976 1.31 . . . . 0.0 112.064 -178.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -140.47 152.87 45.97 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.782 1.633 . . . . 0.0 111.06 175.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -78.87 118.96 21.39 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.639 -0.663 . . . . 0.0 111.748 178.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -106.42 -151.91 19.16 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.767 1.651 . . . . 0.0 112.604 170.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -66.47 -39.07 88.59 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.425 1.09 . . . . 0.0 113.821 -171.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -116.05 -6.67 11.95 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -171.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 155.17 -159.91 29.42 Favored Glycine 0 N--CA 1.472 1.034 0 C-N-CA 125.357 1.456 . . . . 0.0 113.214 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 92.8 m95 -71.06 132.04 44.53 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.17 0.988 . . . . 0.0 111.952 173.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 71.2 m95 -130.61 144.21 51.27 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.213 1.405 . . . . 0.0 110.957 177.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -81.74 142.0 33.04 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.846 0.858 . . . . 0.0 112.3 -169.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -69.28 159.92 32.18 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.1 0.96 . . . . 0.0 113.028 169.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -67.6 149.54 49.96 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.963 0.905 . . . . 0.0 111.736 171.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -67.27 -19.45 65.5 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.759 1.224 . . . . 0.0 113.488 -173.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -93.32 -12.42 30.07 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.019 0.928 . . . . 0.0 111.822 175.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.9 m -96.42 -52.71 3.86 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.297 1.439 . . . . 0.0 111.371 175.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.9 p -58.01 -31.99 67.5 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.108 0.963 . . . . 0.0 113.306 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -25.93 68.39 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.723 0.809 . . . . 0.0 112.728 176.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -76.13 -35.24 59.35 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.571 0.623 . . . . 0.0 110.377 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.8 mt -71.72 -43.13 66.41 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.797 1.639 . . . . 0.0 110.407 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -62.58 -31.23 72.01 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.665 1.586 . . . . 0.0 113.019 173.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -82.32 -26.47 32.99 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.11 -0.994 . . . . 0.0 111.648 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.29 -48.0 77.33 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -174.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -69.28 -21.43 63.88 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.709 -0.62 . . . . 0.0 112.323 174.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.3 t -80.06 -27.14 39.4 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.962 1.305 . . . . 0.0 112.556 174.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -78.32 -36.27 46.59 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.986 1.314 . . . . 0.0 112.235 172.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.23 -7.34 14.49 Favored Glycine 0 C--N 1.342 0.9 0 C-N-CA 125.313 1.435 . . . . 0.0 113.838 178.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.73 155.38 38.25 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 118.973 1.387 . . . . 0.0 112.78 172.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.9 pttt -99.26 -2.53 36.34 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.014 1.326 . . . . 0.0 113.862 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -167.4 151.22 6.5 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 126.024 1.73 . . . . 0.0 110.877 178.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.3 t -144.24 177.22 8.76 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.121 1.768 . . . . 0.0 110.791 -173.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -127.11 146.35 50.41 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 125.654 1.581 . . . . 0.0 111.923 -170.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.0 ptt? -152.83 149.87 28.75 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.286 1.435 . . . . 0.0 112.205 -176.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.96 144.21 31.83 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.9 1.68 . . . . 0.0 110.134 178.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.99 -151.99 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.967 1.307 . . . . 0.0 111.887 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.65 -16.22 24.76 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.92 14.93 0.03 OUTLIER Glycine 0 CA--C 1.533 1.19 0 N-CA-C 116.727 1.451 . . . . 0.0 116.727 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -148.75 154.04 39.02 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.938 1.369 . . . . 0.0 111.989 -170.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.38 124.29 36.32 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.477 1.111 . . . . 0.0 108.301 169.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -112.05 129.87 56.06 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.566 1.146 . . . . 0.0 111.447 170.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 46.4 t -84.66 121.0 36.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 C-N-CA 125.854 1.662 . . . . 0.0 106.852 168.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.74 119.16 37.69 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.91 1.284 . . . . 0.0 109.597 175.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -101.75 119.77 39.31 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.726 1.61 . . . . 0.0 111.145 -174.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.3 mt -77.73 -21.33 52.03 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.055 1.342 . . . . 0.0 113.032 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -66.33 -56.71 9.8 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.987 0.812 . . . . 0.0 111.451 -178.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -100.87 -10.26 20.85 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.92 1.688 . . . . 0.0 112.147 -173.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 57.39 67.65 0.95 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.38 1.872 . . . . 0.0 111.093 -174.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.1 m -140.14 166.3 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 125.746 1.619 . . . . 0.0 111.107 174.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -120.76 149.31 42.74 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.837 1.655 . . . . 0.0 110.251 170.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -163.03 162.24 25.82 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.453 1.501 . . . . 0.0 113.164 176.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.5 mtm-85 -73.3 149.51 42.62 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.032 -1.043 . . . . 0.0 112.076 174.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -56.46 -26.46 53.99 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 175.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -89.57 -11.42 42.79 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -177.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -157.6 123.41 4.67 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.572 1.078 . . . . 0.0 112.835 -174.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 57.3 p-80 -90.7 -17.16 27.25 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.99 1.316 . . . . 0.0 113.27 174.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.59 -18.4 78.54 Favored Glycine 0 N--CA 1.473 1.136 0 C-N-CA 125.709 1.624 . . . . 0.0 113.756 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -109.49 97.93 7.41 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.383 1.473 . . . . 0.0 109.345 169.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -134.03 148.13 51.04 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.511 1.524 . . . . 0.0 112.294 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -123.72 144.71 49.5 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.763 1.625 . . . . 0.0 109.958 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -68.09 140.44 56.24 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.326 1.051 . . . . 0.0 113.083 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.7 pt -128.02 167.56 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.085 1.354 . . . . 0.0 110.81 170.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -155.98 165.85 35.22 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.079 1.352 . . . . 0.0 113.028 175.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.3 mtp-105 -102.45 152.18 21.43 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.162 1.385 . . . . 0.0 109.381 166.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.34 -179.67 7.75 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.402 1.481 . . . . 0.0 111.608 175.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 27.7 mm -130.04 139.18 52.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 126.007 1.723 . . . . 0.0 109.057 -176.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.2 mp -83.37 139.52 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.207 176.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -96.87 -21.91 17.21 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.162 1.385 . . . . 0.0 114.587 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.7 mm . . . . . 0 N--CA 1.485 1.277 0 C-N-CA 129.441 3.096 . . . . 0.0 111.793 177.178 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.541 0.626 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.0 mt -90.35 -175.04 4.36 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.962 1.305 . . . . 0.0 112.571 -176.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.9 m -102.01 158.35 31.95 Favored Pre-proline 0 CA--C 1.541 0.61 0 C-N-CA 126.677 1.991 . . . . 0.0 111.963 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -60.86 -25.05 80.57 Favored 'Trans proline' 0 CA--C 1.534 0.503 0 C-N-CA 123.879 3.053 . . . . 0.0 113.098 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -86.38 -11.38 52.17 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.495 1.118 . . . . 0.0 113.961 177.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -86.29 -51.15 6.43 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.679 1.192 . . . . 0.0 110.899 173.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.61 -50.61 71.87 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.526 1.53 . . . . 0.0 110.584 -176.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -60.49 -34.64 74.36 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 174.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.624 0 CA-C-N 118.963 0.801 . . . . 0.0 112.39 177.341 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.468 0.474 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -171.34 153.48 3.61 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.067 1.747 . . . . 0.0 112.562 178.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -154.5 156.31 36.45 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.139 1.775 . . . . 0.0 110.474 176.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -108.78 151.45 26.21 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.192 0.997 . . . . 0.0 111.197 170.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -138.54 158.34 44.43 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.666 1.586 . . . . 0.0 111.807 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -134.63 147.04 50.09 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.585 1.554 . . . . 0.0 111.71 175.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -72.75 106.19 4.63 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 123.449 0.699 . . . . 0.0 109.753 172.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.96 -170.47 36.81 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 124.977 1.275 . . . . 0.0 111.495 169.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.3 ttm105 -73.49 -23.64 60.08 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -171.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -111.47 -7.89 14.31 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 125.402 1.481 . . . . 0.0 114.809 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.05 -167.73 30.05 Favored Glycine 0 N--CA 1.473 1.126 0 C-N-CA 126.079 1.8 . . . . 0.0 113.178 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -66.34 128.89 37.92 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.605 0.762 . . . . 0.0 111.73 172.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 44.0 m95 -127.23 142.95 51.35 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.002 1.321 . . . . 0.0 111.187 176.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -81.16 140.01 35.24 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.534 0.734 . . . . 0.0 111.609 -171.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -71.74 155.41 40.49 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.906 0.882 . . . . 0.0 112.726 169.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -66.77 155.55 37.86 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.657 1.183 . . . . 0.0 112.183 172.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -67.16 -22.26 65.77 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.723 1.209 . . . . 0.0 113.306 -176.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -92.32 -13.33 30.45 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.945 0.898 . . . . 0.0 112.197 176.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.9 m -95.97 -53.44 3.67 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.116 1.367 . . . . 0.0 111.228 176.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.0 p -58.86 -30.74 67.95 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -28.87 70.14 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 118.861 -0.59 . . . . 0.0 112.432 174.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -71.83 -37.98 70.23 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.112 0.869 . . . . 0.0 110.106 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.9 mt -69.24 -42.41 75.68 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.741 1.616 . . . . 0.0 110.936 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -70.17 -26.43 63.91 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.043 0.937 . . . . 0.0 113.127 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -82.61 -36.38 26.17 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 120.457 -1.402 . . . . 0.0 111.393 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.94 -51.14 70.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.477 1.511 . . . . 0.0 114.002 -177.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -68.49 -23.98 64.63 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 118.608 0.64 . . . . 0.0 111.988 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.3 t -76.26 -30.11 57.72 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.648 1.179 . . . . 0.0 112.305 175.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -75.87 -41.36 52.42 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.502 1.121 . . . . 0.0 111.976 174.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 126.39 -7.55 7.52 Favored Glycine 0 N--CA 1.469 0.879 0 C-N-CA 125.216 1.389 . . . . 0.0 114.352 177.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -66.93 151.22 48.0 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.024 1.412 . . . . 0.0 112.292 171.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -97.63 -1.24 44.15 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.743 1.217 . . . . 0.0 113.727 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -169.87 153.35 4.79 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.458 1.903 . . . . 0.0 109.676 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.1 t -143.6 164.93 29.0 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.057 1.343 . . . . 0.0 111.298 -175.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -113.05 142.06 46.16 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 125.203 1.401 . . . . 0.0 110.832 -176.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 14.7 ptt? -144.81 144.63 31.25 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.84 1.256 . . . . 0.0 111.902 -173.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.65 141.5 33.43 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 125.59 1.556 . . . . 0.0 109.628 175.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.58 -153.7 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.889 1.275 . . . . 0.0 111.477 -178.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.08 -15.51 14.31 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.23 16.55 0.03 OUTLIER Glycine 0 CA--C 1.535 1.296 0 N-CA-C 116.908 1.523 . . . . 0.0 116.908 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -149.91 155.58 40.26 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 118.965 1.383 . . . . 0.0 111.902 -169.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.71 124.35 43.49 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 171.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -118.48 138.92 52.16 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 124.479 1.112 . . . . 0.0 111.315 172.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.0 t -91.77 128.69 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 125.504 1.522 . . . . 0.0 107.181 170.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.73 119.99 40.94 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.538 1.535 . . . . 0.0 109.759 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -106.34 121.08 43.5 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.17 1.788 . . . . 0.0 111.329 -172.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.2 mt -80.89 -20.89 41.22 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.931 1.693 . . . . 0.0 113.288 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -68.02 -50.7 53.86 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.995 0.816 . . . . 0.0 112.026 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -101.72 -10.89 19.57 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.942 1.697 . . . . 0.0 112.14 -174.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.1 mmt 57.87 68.86 0.79 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.959 2.104 . . . . 0.0 111.344 -171.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 26.9 m -147.81 162.77 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 124.279 1.032 . . . . 0.0 112.319 -175.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.38 148.71 51.33 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.436 1.495 . . . . 0.0 112.094 173.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -162.1 162.81 28.77 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.953 1.701 . . . . 0.0 112.986 -173.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.3 mtp-105 -80.74 146.05 31.21 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.301 1.041 . . . . 0.0 111.081 170.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.2 mtp-105 -52.76 -38.35 60.86 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -169.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -94.6 -4.41 47.85 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.757 1.223 . . . . 0.0 113.723 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -102.69 31.39 4.15 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.282 1.833 . . . . 0.0 111.736 -173.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 35.4 p80 -56.7 -20.01 19.57 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 116.068 1.877 . . . . 0.0 116.068 -169.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -76.98 -5.54 84.9 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 125.768 1.652 . . . . 0.0 114.789 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 74.8 ttt-85 -144.41 141.07 29.41 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.068 1.747 . . . . 0.0 111.062 -175.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -162.91 157.92 21.79 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.496 1.119 . . . . 0.0 112.989 -169.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -130.75 136.35 48.66 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.661 1.584 . . . . 0.0 110.528 -173.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -58.45 147.64 30.94 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 -172.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 5.0 pt -130.29 165.48 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 125.835 1.654 . . . . 0.0 110.107 168.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.5 pttt -155.95 170.5 21.99 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.678 1.191 . . . . 0.0 113.123 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.7 mtt85 -104.37 152.88 21.75 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.112 1.365 . . . . 0.0 109.494 166.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -149.02 179.44 7.87 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.546 1.539 . . . . 0.0 111.233 171.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.0 mm -128.22 137.76 56.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.268 1.427 . . . . 0.0 110.366 -174.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.1 mp -90.5 141.21 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.078 0.951 . . . . 0.0 110.203 171.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -100.96 -24.95 14.24 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.9 mm . . . . . 0 N--CA 1.487 1.413 0 C-N-CA 128.693 2.797 . . . . 0.0 112.394 176.602 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.542 0.655 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.9 mt -88.67 -175.69 5.01 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.848 1.259 . . . . 0.0 112.583 -176.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.9 m -98.14 157.67 34.09 Favored Pre-proline 0 CA--C 1.54 0.591 0 C-N-CA 126.542 1.937 . . . . 0.0 112.008 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -61.07 -24.42 79.4 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 123.952 3.101 . . . . 0.0 113.108 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -86.8 -11.44 50.96 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.528 1.131 . . . . 0.0 113.896 177.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -86.56 -51.28 6.26 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.763 1.225 . . . . 0.0 110.937 173.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mt -61.16 -50.82 71.62 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 125.566 1.546 . . . . 0.0 110.753 -177.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -61.19 -31.54 71.29 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 175.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.567 0 CA-C-N 119.019 0.827 . . . . 0.0 112.451 176.139 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.469 0.479 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -171.41 152.73 3.35 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.983 1.713 . . . . 0.0 112.536 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -153.24 152.74 31.52 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.827 1.651 . . . . 0.0 110.728 177.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -108.26 149.51 28.51 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.791 1.236 . . . . 0.0 110.578 173.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -139.66 150.01 44.4 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.731 1.612 . . . . 0.0 112.027 -177.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -135.87 150.98 49.56 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.384 1.474 . . . . 0.0 112.072 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -75.96 113.05 13.03 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 120.776 0.322 . . . . 0.0 110.881 172.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.24 -146.85 20.68 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 125.369 1.461 . . . . 0.0 111.955 170.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -76.08 -42.57 46.89 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.747 0.819 . . . . 0.0 112.44 178.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -106.85 -8.94 16.52 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 -170.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 155.96 -159.48 29.36 Favored Glycine 0 N--CA 1.473 1.166 0 C-N-CA 124.847 1.213 . . . . 0.0 113.315 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -76.17 131.11 39.16 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.164 0.986 . . . . 0.0 111.644 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -130.81 143.32 50.66 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.962 1.305 . . . . 0.0 111.268 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -83.08 141.15 32.22 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.615 0.766 . . . . 0.0 111.143 -174.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -70.51 162.83 28.07 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 169.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -76.13 154.35 35.55 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.268 0.627 . . . . 0.0 110.202 169.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -68.24 -19.62 64.75 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.407 1.083 . . . . 0.0 113.6 -177.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -67.76 -37.06 81.61 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.946 0.899 . . . . 0.0 111.416 170.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.1 m -90.3 -52.62 4.84 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.521 1.928 . . . . 0.0 112.431 -173.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 85.2 p -60.43 -30.68 69.79 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.332 0.969 . . . . 0.0 113.528 -173.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -29.74 71.0 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-O 118.754 -0.641 . . . . 0.0 112.233 175.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -69.63 -35.55 75.33 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.278 0.945 . . . . 0.0 110.362 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.9 mt -74.57 -42.8 58.11 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.864 1.666 . . . . 0.0 110.693 -177.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -69.52 -26.95 64.77 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.944 0.898 . . . . 0.0 113.248 174.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -80.56 -35.71 33.98 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 120.593 -1.317 . . . . 0.0 111.432 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.83 -52.33 65.52 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.235 1.414 . . . . 0.0 114.336 -176.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -68.17 -23.22 64.83 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.678 0.672 . . . . 0.0 112.055 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 t -76.53 -31.2 57.5 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.699 1.2 . . . . 0.0 112.31 174.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -74.54 -41.26 60.9 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.621 1.169 . . . . 0.0 111.846 174.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 126.08 -7.57 7.66 Favored Glycine 0 N--CA 1.469 0.852 0 C-N-CA 125.083 1.325 . . . . 0.0 114.218 178.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -66.73 150.84 48.51 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.062 1.431 . . . . 0.0 112.223 171.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -97.88 -1.3 43.3 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.959 1.304 . . . . 0.0 113.517 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -167.86 150.17 5.63 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.09 1.756 . . . . 0.0 110.663 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.4 t -140.84 -179.9 6.33 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.681 1.592 . . . . 0.0 110.91 -176.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -130.71 145.13 51.86 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 125.077 1.351 . . . . 0.0 111.614 -170.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -153.62 151.35 29.62 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.829 1.251 . . . . 0.0 112.093 -174.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.34 142.33 34.75 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.962 1.705 . . . . 0.0 109.989 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -119.35 -150.93 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.874 1.27 . . . . 0.0 111.712 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.89 -15.84 24.6 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.45 13.85 0.03 OUTLIER Glycine 0 CA--C 1.534 1.269 0 N-CA-C 116.847 1.499 . . . . 0.0 116.847 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -149.18 150.24 32.31 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.909 1.355 . . . . 0.0 112.321 -169.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.41 125.43 35.55 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.656 1.183 . . . . 0.0 108.462 169.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -117.39 134.82 54.38 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.845 1.258 . . . . 0.0 112.015 173.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 42.1 t -90.65 108.62 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 125.658 1.583 . . . . 0.0 108.402 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.34 100.14 9.05 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.971 1.708 . . . . 0.0 111.284 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -89.31 116.78 27.78 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.931 1.292 . . . . 0.0 111.119 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.5 mt -77.19 -22.5 52.29 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.317 1.447 . . . . 0.0 112.76 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -67.62 -48.28 67.24 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 118.954 0.797 . . . . 0.0 112.321 -176.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -100.24 -11.14 20.63 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.09 1.756 . . . . 0.0 111.495 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 58.76 66.84 1.0 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.889 2.076 . . . . 0.0 111.052 -170.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.2 m -147.24 157.73 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -174.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -114.02 140.15 48.68 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 126.553 1.941 . . . . 0.0 111.451 172.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -153.45 153.84 33.27 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.924 1.29 . . . . 0.0 112.209 171.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -71.95 140.72 49.31 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.921 0.888 . . . . 0.0 110.419 174.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 72.6 mtp85 -47.66 -36.55 11.2 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 -173.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -97.13 -4.73 38.78 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.673 1.189 . . . . 0.0 114.201 -177.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -102.79 109.34 20.89 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.767 1.227 . . . . 0.0 111.267 -174.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -93.11 -22.42 19.1 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.818 1.247 . . . . 0.0 113.236 177.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.05 -12.21 83.59 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.937 1.256 . . . . 0.0 115.628 -171.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 -140.51 165.2 28.1 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.301 1.441 . . . . 0.0 113.787 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -165.49 157.17 14.61 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 127.291 2.236 . . . . 0.0 112.215 169.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -118.06 127.09 53.46 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.165 1.786 . . . . 0.0 110.604 177.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.2 145.68 55.5 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.878 1.271 . . . . 0.0 113.34 179.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.1 pt -131.88 167.02 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.287 1.435 . . . . 0.0 111.609 177.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -155.63 166.52 33.26 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.316 1.446 . . . . 0.0 112.467 -178.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -105.1 154.07 20.66 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.978 1.311 . . . . 0.0 111.028 168.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.81 -179.18 6.61 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.631 1.572 . . . . 0.0 110.97 169.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.8 mm -128.5 137.95 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 125.813 1.645 . . . . 0.0 109.963 -174.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.1 mp -90.28 140.88 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 123.97 0.908 . . . . 0.0 110.167 171.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -101.78 -23.39 14.2 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -178.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 25.2 mm . . . . . 0 N--CA 1.488 1.469 0 C-N-CA 128.574 2.749 . . . . 0.0 112.159 176.65 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mt . . . . . 0 CA--C 1.539 0.536 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.0 mt -78.57 179.37 7.13 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 123.03 1.395 . . . . 0.0 113.366 -174.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.9 m -87.32 155.12 54.54 Favored Pre-proline 0 CA--C 1.541 0.6 0 C-N-CA 126.68 1.992 . . . . 0.0 112.285 177.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -62.69 -18.69 65.37 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 124.124 3.216 . . . . 0.0 113.218 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -83.09 -33.25 26.42 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.908 0.883 . . . . 0.0 112.147 176.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -68.93 -49.01 61.78 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.117 1.367 . . . . 0.0 111.796 -176.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 mt -64.66 -44.44 90.4 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.94 1.696 . . . . 0.0 110.299 -176.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -62.04 -45.39 93.79 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.972 170.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.618 0 CA-C-N 119.509 1.05 . . . . 0.0 113.411 -178.958 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.537 0.467 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -170.38 152.31 4.0 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.616 1.566 . . . . 0.0 112.36 178.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -153.01 156.46 38.85 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.679 1.592 . . . . 0.0 111.049 177.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -116.89 147.84 41.83 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.912 1.285 . . . . 0.0 110.346 171.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -137.12 155.32 49.76 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.976 1.31 . . . . 0.0 111.627 -178.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -128.4 149.51 50.51 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.826 1.65 . . . . 0.0 111.627 174.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -79.65 108.91 13.56 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 172.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.01 -158.13 31.98 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.951 1.262 . . . . 0.0 112.126 171.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.76 -44.35 96.85 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.097 0.959 . . . . 0.0 112.83 -177.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -107.73 -9.52 15.79 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 -170.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 153.81 -159.54 28.78 Favored Glycine 0 N--CA 1.473 1.156 0 C-N-CA 125.227 1.394 . . . . 0.0 113.406 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -69.52 132.55 46.44 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.107 0.963 . . . . 0.0 112.596 174.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 72.8 m95 -133.25 139.2 46.81 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.372 1.469 . . . . 0.0 110.782 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -82.0 141.63 33.08 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.576 0.75 . . . . 0.0 111.799 -170.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -71.61 162.57 29.24 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.406 1.082 . . . . 0.0 113.712 171.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -78.41 148.28 33.69 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.81 0.844 . . . . 0.0 110.712 170.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.88 -19.96 65.47 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -178.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -63.26 -39.98 96.12 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.684 1.194 . . . . 0.0 111.525 170.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 66.0 m -92.36 -52.05 4.85 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 127.169 2.187 . . . . 0.0 112.162 -173.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 86.4 p -61.17 -30.09 70.19 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.089 0.859 . . . . 0.0 113.301 -173.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -29.78 70.73 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 174.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.0 -34.7 71.63 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.208 0.913 . . . . 0.0 110.387 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.0 mt -75.24 -43.35 52.07 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.003 1.721 . . . . 0.0 110.495 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -63.86 -30.89 71.93 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.543 1.537 . . . . 0.0 113.219 175.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -81.09 -33.42 33.36 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.155 -0.966 . . . . 0.0 111.546 -177.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.57 -50.84 71.93 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.002 1.321 . . . . 0.0 114.119 -173.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -68.55 -21.82 64.53 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 118.69 0.677 . . . . 0.0 112.317 175.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 t -79.96 -28.79 39.57 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.753 1.221 . . . . 0.0 112.406 175.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -76.77 -41.09 46.09 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.993 1.317 . . . . 0.0 111.992 173.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.63 -7.25 8.4 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 124.926 1.251 . . . . 0.0 114.379 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -67.35 151.3 47.71 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 118.904 1.352 . . . . 0.0 112.183 171.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -97.47 -2.08 42.79 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.8 1.24 . . . . 0.0 113.677 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -167.47 150.62 6.18 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.974 1.709 . . . . 0.0 110.669 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.3 t -141.63 179.98 6.51 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.724 1.609 . . . . 0.0 111.026 -176.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -129.59 146.97 51.35 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 125.344 1.458 . . . . 0.0 111.88 -172.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -156.26 155.19 31.92 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.131 1.373 . . . . 0.0 111.987 -176.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.59 142.42 35.37 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.9 1.68 . . . . 0.0 110.008 177.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -119.59 -152.82 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.885 1.274 . . . . 0.0 111.869 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.76 -16.22 15.79 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 178.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.72 15.57 0.03 OUTLIER Glycine 0 CA--C 1.533 1.195 0 N-CA-C 116.656 1.423 . . . . 0.0 116.656 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -150.5 152.19 33.83 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.83 1.315 . . . . 0.0 112.552 -169.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.07 125.83 35.97 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 169.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -118.67 134.16 55.32 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.963 0.905 . . . . 0.0 112.127 171.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 49.6 t -86.13 109.52 18.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 125.892 1.677 . . . . 0.0 108.272 174.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.5 99.93 8.29 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.573 1.549 . . . . 0.0 111.105 176.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -86.23 116.23 24.28 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.224 1.41 . . . . 0.0 110.876 175.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.8 mt -71.72 -32.3 67.63 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.022 1.329 . . . . 0.0 112.529 177.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -63.48 -48.63 76.86 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.467 1.107 . . . . 0.0 112.875 -171.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -101.08 -6.78 23.91 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.325 1.45 . . . . 0.0 112.087 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 58.99 65.27 1.24 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.857 2.063 . . . . 0.0 111.553 -174.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.8 m -145.01 160.89 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -175.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -121.19 132.32 54.76 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 127.953 2.501 . . . . 0.0 110.339 178.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -152.19 160.15 43.44 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.253 1.021 . . . . 0.0 113.681 176.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 -71.5 140.05 49.8 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.142 0.977 . . . . 0.0 111.116 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -49.06 -39.29 26.97 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.363 1.465 . . . . 0.0 114.517 -175.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -97.1 -0.57 46.87 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.044 1.337 . . . . 0.0 113.847 -176.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -147.16 60.54 1.18 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.98 1.312 . . . . 0.0 110.497 -169.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -61.41 -20.47 63.1 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -176.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.12 -12.28 75.64 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 125.497 1.522 . . . . 0.0 114.437 177.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.12 14.44 4.23 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 118.783 1.292 . . . . 0.0 113.475 177.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -56.19 146.2 24.06 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 116.448 2.018 . . . . 0.0 116.448 -168.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 -136.13 137.1 40.64 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 127.254 2.222 . . . . 0.0 110.838 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.85 147.85 51.12 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 -171.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.2 pt -135.65 170.98 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 126.752 2.021 . . . . 0.0 111.446 170.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.7 pttt -155.5 165.86 35.31 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.571 1.548 . . . . 0.0 112.823 173.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 30.0 mtp-105 -101.46 152.04 21.23 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.369 1.468 . . . . 0.0 109.623 166.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.31 178.04 10.21 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.141 1.376 . . . . 0.0 111.682 174.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.7 mm -128.52 139.46 51.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 125.485 1.514 . . . . 0.0 110.393 -176.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.0 mp -92.98 140.85 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.988 0.915 . . . . 0.0 110.448 171.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -104.48 -21.83 13.39 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.7 mm . . . . . 0 N--CA 1.486 1.364 0 C-N-CA 129.123 2.969 . . . . 0.0 111.85 176.269 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 CA--C 1.538 0.495 0 N-CA-C 111.589 0.218 . . . . 0.0 111.589 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.4 mt -77.93 179.17 6.91 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 123.065 1.412 . . . . 0.0 113.373 -173.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.9 m -89.85 155.88 47.44 Favored Pre-proline 0 CA--C 1.539 0.55 0 C-N-CA 126.653 1.981 . . . . 0.0 112.3 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -61.82 -20.32 68.79 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 124.113 3.209 . . . . 0.0 113.094 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -82.03 -33.37 30.02 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.232 1.013 . . . . 0.0 112.219 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -69.57 -48.67 59.5 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.921 1.288 . . . . 0.0 111.583 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 mt -63.73 -48.82 75.51 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 125.749 1.62 . . . . 0.0 109.948 -177.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -58.82 -41.49 86.98 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 118.753 -0.641 . . . . 0.0 112.58 171.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.714 0 CA-C-N 119.607 1.094 . . . . 0.0 112.651 177.591 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 N--CA 1.471 0.607 0 CA-C-O 119.472 -0.299 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -171.66 150.8 2.78 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.467 1.507 . . . . 0.0 112.911 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -153.51 153.45 32.46 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.244 1.418 . . . . 0.0 112.496 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -101.54 147.57 26.23 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.493 1.517 . . . . 0.0 110.595 169.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -139.82 150.98 45.34 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.821 1.248 . . . . 0.0 112.154 176.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -130.85 149.92 52.26 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.273 1.429 . . . . 0.0 111.986 175.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -76.6 110.56 11.27 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 120.753 0.311 . . . . 0.0 110.403 172.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -90.95 -147.65 19.71 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.268 1.413 . . . . 0.0 111.714 171.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -73.38 -40.7 64.13 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 122.023 -0.693 . . . . 0.0 112.733 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -108.95 -10.1 15.08 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 115.48 1.659 . . . . 0.0 115.48 -170.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 155.91 -160.29 29.92 Favored Glycine 0 N--CA 1.474 1.231 0 C-N-CA 125.044 1.307 . . . . 0.0 113.443 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -71.77 131.09 42.6 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.349 1.059 . . . . 0.0 111.915 174.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -131.02 140.86 50.17 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.845 1.258 . . . . 0.0 111.02 177.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -82.24 142.43 32.14 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.015 0.926 . . . . 0.0 111.203 -172.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -72.62 162.22 29.76 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -72.12 153.7 41.52 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.837 1.255 . . . . 0.0 111.943 170.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -69.44 -19.6 63.78 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.81 1.244 . . . . 0.0 113.368 -175.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.1 mmt85 -95.07 -13.4 25.19 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.232 1.013 . . . . 0.0 112.079 177.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.4 m -95.49 -53.61 3.68 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.854 1.262 . . . . 0.0 110.979 175.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 64.9 p -58.23 -30.22 66.35 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -178.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -28.85 70.31 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 175.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -71.56 -36.39 70.91 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 118.926 0.785 . . . . 0.0 110.064 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.5 mt -72.65 -41.84 65.01 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.935 1.694 . . . . 0.0 110.557 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -61.55 -33.24 73.5 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.999 1.32 . . . . 0.0 113.295 172.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -82.09 -34.19 29.43 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.274 -0.891 . . . . 0.0 111.249 -175.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.56 -50.37 73.81 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.996 1.318 . . . . 0.0 114.104 -174.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -67.63 -24.48 65.47 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.868 0.758 . . . . 0.0 112.026 175.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.0 t -76.87 -30.55 56.29 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.734 1.214 . . . . 0.0 112.504 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -75.55 -41.31 55.25 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.879 1.272 . . . . 0.0 111.894 174.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.72 -7.44 8.9 Favored Glycine 0 N--CA 1.469 0.888 0 C-N-CA 125.038 1.304 . . . . 0.0 113.952 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -65.84 151.03 47.6 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.05 1.425 . . . . 0.0 112.387 172.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -96.49 -2.51 45.08 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.871 1.269 . . . . 0.0 113.551 -178.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -169.03 152.2 5.06 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.263 1.825 . . . . 0.0 110.43 178.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.1 t -142.55 -179.12 6.11 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.469 1.507 . . . . 0.0 111.129 -176.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -130.96 146.52 52.39 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.32 1.448 . . . . 0.0 111.743 -170.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -155.34 152.93 29.74 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.925 1.29 . . . . 0.0 112.215 -174.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.66 143.07 34.33 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.892 1.677 . . . . 0.0 110.212 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.76 -152.52 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.983 1.313 . . . . 0.0 111.966 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.18 -15.63 15.88 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 178.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.45 15.01 0.03 OUTLIER Glycine 0 CA--C 1.534 1.276 0 N-CA-C 116.68 1.432 . . . . 0.0 116.68 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -150.1 150.5 31.78 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.857 1.328 . . . . 0.0 112.381 -169.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.51 126.08 35.8 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.67 1.188 . . . . 0.0 108.227 169.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -118.19 136.89 53.36 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.75 1.22 . . . . 0.0 112.503 173.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 41.0 t -92.47 109.11 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 C-N-CA 126.226 1.81 . . . . 0.0 108.517 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.55 101.91 10.27 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.606 1.562 . . . . 0.0 111.273 177.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -89.12 111.81 22.66 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.603 1.161 . . . . 0.0 110.684 177.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.7 mt -70.96 -26.7 63.28 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.562 1.545 . . . . 0.0 113.098 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -73.55 -46.39 47.81 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.9 0.88 . . . . 0.0 112.621 -172.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -101.13 -6.66 24.03 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.502 1.521 . . . . 0.0 112.107 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.4 mmt 57.92 64.83 1.43 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.772 2.029 . . . . 0.0 111.617 -175.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.9 m -145.02 157.45 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -177.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -120.5 129.58 53.9 Favored 'General case' 0 N--CA 1.461 0.108 0 C-N-CA 126.76 2.024 . . . . 0.0 110.82 176.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -148.63 157.91 43.78 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.705 1.202 . . . . 0.0 113.122 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.1 ttt-85 -73.06 143.13 47.57 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.583 1.153 . . . . 0.0 111.044 175.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.9 mtp85 -52.02 -32.87 35.93 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -173.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -86.18 -19.43 30.06 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -174.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.15 127.91 7.33 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 122.578 1.18 . . . . 0.0 113.399 -178.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 53.4 p-80 -82.94 -15.75 50.11 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.209 1.404 . . . . 0.0 114.067 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.1 -13.88 60.54 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.091 1.329 . . . . 0.0 115.011 -175.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -86.23 1.13 51.97 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.511 1.525 . . . . 0.0 113.475 173.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -54.37 128.77 33.03 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -168.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -112.29 132.89 54.71 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.87 2.068 . . . . 0.0 110.524 178.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -67.08 145.76 55.01 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.881 1.272 . . . . 0.0 113.354 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.5 pt -129.36 170.63 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.459 1.503 . . . . 0.0 111.462 174.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -152.05 165.18 35.51 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.692 1.197 . . . . 0.0 112.767 178.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 61.3 mtp85 -106.1 142.31 36.01 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 126.107 1.763 . . . . 0.0 109.063 169.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -149.57 179.99 7.54 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.786 1.234 . . . . 0.0 112.235 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.0 mm -129.48 139.83 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.916 1.686 . . . . 0.0 110.263 -175.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.4 mp -90.4 141.56 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.232 1.013 . . . . 0.0 110.521 172.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -99.78 -22.98 15.13 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.7 mm . . . . . 0 N--CA 1.487 1.376 0 C-N-CA 128.836 2.854 . . . . 0.0 112.46 175.719 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.543 0.683 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.4 mt -90.61 -178.91 5.42 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.828 1.251 . . . . 0.0 112.518 -177.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.6 m -89.77 156.27 47.41 Favored Pre-proline 0 CA--C 1.54 0.587 0 C-N-CA 126.329 1.852 . . . . 0.0 111.656 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -61.96 -21.36 72.19 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 124.09 3.193 . . . . 0.0 113.053 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -79.88 -32.81 40.36 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.315 1.046 . . . . 0.0 112.275 176.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -69.38 -48.22 61.83 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.944 1.298 . . . . 0.0 111.956 -174.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 mt -65.04 -41.9 94.78 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.781 1.632 . . . . 0.0 110.261 -176.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -63.64 -46.46 85.54 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.511 0.724 . . . . 0.0 111.826 170.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.64 0 CA-C-N 119.236 0.925 . . . . 0.0 113.327 -178.334 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.537 0.473 0 CA-C-O 120.625 0.25 . . . . 0.0 111.531 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -171.3 152.23 3.3 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.85 1.66 . . . . 0.0 111.807 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -151.49 145.67 25.35 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.871 1.668 . . . . 0.0 110.019 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 27.6 m95 -107.34 147.8 29.84 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.515 1.126 . . . . 0.0 110.063 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -138.23 150.08 46.37 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.984 1.314 . . . . 0.0 111.934 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -137.18 155.79 49.12 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.539 1.536 . . . . 0.0 111.854 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -76.75 117.22 18.15 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.041 0.448 . . . . 0.0 111.85 175.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -104.74 -161.86 24.04 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.259 1.409 . . . . 0.0 112.165 169.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -61.77 -45.03 95.66 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.057 0.943 . . . . 0.0 112.735 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -106.69 -7.38 17.33 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -169.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 155.32 -159.2 28.98 Favored Glycine 0 N--CA 1.473 1.12 0 C-N-CA 125.026 1.298 . . . . 0.0 113.393 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -77.51 132.79 38.56 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.308 1.043 . . . . 0.0 111.661 175.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -131.81 144.58 51.02 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.804 1.242 . . . . 0.0 111.264 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -84.01 141.86 30.89 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.027 0.931 . . . . 0.0 111.236 -173.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -71.2 161.73 30.61 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 169.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -74.02 150.75 40.5 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.778 0.831 . . . . 0.0 111.171 169.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.49 -22.08 66.86 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -177.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -68.79 -39.5 80.1 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 121.362 -0.836 . . . . 0.0 111.349 170.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.2 m -82.06 -53.17 6.33 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.691 1.597 . . . . 0.0 112.524 -176.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.1 p -61.53 -31.53 71.55 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -171.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -28.35 69.87 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-O 118.899 -0.572 . . . . 0.0 112.263 175.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -70.46 -36.76 74.1 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.301 0.955 . . . . 0.0 110.304 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.2 mt -71.22 -43.07 68.05 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.892 1.677 . . . . 0.0 110.437 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -64.13 -33.0 74.77 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.604 1.562 . . . . 0.0 113.111 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -82.2 -33.37 29.42 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.114 -0.991 . . . . 0.0 111.519 -176.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.93 -48.63 79.35 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.894 1.278 . . . . 0.0 113.854 -177.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -69.73 -21.33 63.47 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 118.658 0.663 . . . . 0.0 112.499 175.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 t -80.46 -30.55 37.49 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.686 1.195 . . . . 0.0 112.428 175.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -74.46 -45.7 44.47 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.025 1.33 . . . . 0.0 111.303 176.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.65 -7.63 6.96 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 125.119 1.342 . . . . 0.0 114.034 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -66.63 151.53 47.16 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 118.87 1.335 . . . . 0.0 112.362 171.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -96.82 -3.24 42.54 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.819 1.248 . . . . 0.0 113.552 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -168.03 151.16 5.77 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 126.199 1.8 . . . . 0.0 110.301 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.9 t -140.2 179.04 6.86 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.386 1.474 . . . . 0.0 111.104 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -131.37 145.55 51.88 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 125.19 1.396 . . . . 0.0 111.581 -170.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -154.18 150.67 28.35 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.73 1.212 . . . . 0.0 112.107 -174.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.41 141.96 35.05 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.828 1.651 . . . . 0.0 109.786 177.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -118.12 -150.14 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.785 1.234 . . . . 0.0 111.499 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.43 -15.31 25.2 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 177.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.63 12.83 0.03 OUTLIER Glycine 0 CA--C 1.536 1.383 0 N-CA-C 116.883 1.513 . . . . 0.0 116.883 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -148.67 150.53 33.36 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.908 1.354 . . . . 0.0 112.408 -169.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.64 125.32 35.2 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.639 1.176 . . . . 0.0 108.511 169.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -117.21 134.75 54.42 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.659 1.183 . . . . 0.0 111.775 172.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.7 t -91.86 109.92 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 125.982 1.713 . . . . 0.0 108.37 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.44 98.72 9.04 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.909 1.684 . . . . 0.0 111.147 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -86.72 113.35 22.5 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.667 1.187 . . . . 0.0 110.886 177.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.5 mt -72.21 -26.54 62.09 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.3 1.44 . . . . 0.0 112.934 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -69.44 -46.99 65.45 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.913 0.885 . . . . 0.0 112.61 -173.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -101.19 -6.85 23.71 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.397 1.479 . . . . 0.0 112.086 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.1 mmt 58.46 63.18 1.77 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.892 2.077 . . . . 0.0 111.321 -173.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 35.4 m -142.68 153.68 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -177.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -106.32 140.21 39.61 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 125.971 1.708 . . . . 0.0 110.849 169.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -152.29 156.27 39.32 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.999 1.32 . . . . 0.0 112.401 169.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -74.83 142.98 44.13 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.536 1.135 . . . . 0.0 110.733 176.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 74.4 mtp85 -53.39 -27.69 25.42 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -71.42 -24.7 62.09 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -178.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -164.51 128.93 2.61 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.675 1.19 . . . . 0.0 111.927 175.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 52.8 p-80 -80.81 -15.59 56.0 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.436 1.272 . . . . 0.0 114.436 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.41 -64.33 4.22 Favored Glycine 0 N--CA 1.471 0.985 0 C-N-CA 125.893 1.711 . . . . 0.0 112.206 -174.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -66.15 119.22 11.07 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 117.611 0.705 . . . . 0.0 109.175 169.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -151.62 162.87 40.27 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.412 1.485 . . . . 0.0 112.244 -172.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -135.78 127.11 28.39 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.459 1.503 . . . . 0.0 110.762 -174.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.09 146.07 54.82 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.294 1.037 . . . . 0.0 112.895 177.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.4 pt -132.24 170.02 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.635 1.574 . . . . 0.0 111.299 176.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -155.31 165.84 35.39 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.852 1.261 . . . . 0.0 112.585 -179.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.2 mtp-105 -110.44 150.59 28.63 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.385 1.474 . . . . 0.0 110.902 169.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -145.72 167.18 23.77 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.203 2.201 . . . . 0.0 110.429 175.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.8 mm -121.4 135.87 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.024 1.33 . . . . 0.0 109.997 -178.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.9 mp -90.4 140.87 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 123.978 0.911 . . . . 0.0 110.634 171.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -102.98 -24.59 13.64 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.6 mm . . . . . 0 N--CA 1.486 1.342 0 C-N-CA 128.88 2.872 . . . . 0.0 111.677 177.076 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 CA--C 1.543 0.705 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.1 mt -86.44 -173.54 4.58 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.862 1.265 . . . . 0.0 112.422 -178.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.9 m -101.85 157.88 32.84 Favored Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 126.651 1.98 . . . . 0.0 111.812 -178.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -60.62 -25.96 81.9 Favored 'Trans proline' 0 CA--C 1.535 0.529 0 C-N-CA 123.7 2.933 . . . . 0.0 112.981 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -85.27 -11.49 54.64 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.555 1.142 . . . . 0.0 113.907 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -86.47 -51.34 6.26 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.69 1.196 . . . . 0.0 110.683 173.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mt -61.54 -50.57 72.12 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 125.003 1.321 . . . . 0.0 110.742 -176.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -63.66 -14.84 55.69 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 175.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.679 0 C-N-CA 124.299 1.04 . . . . 0.0 111.764 172.682 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.537 0.47 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -171.96 151.9 2.84 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.812 1.645 . . . . 0.0 112.745 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -156.01 151.39 26.84 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.339 1.456 . . . . 0.0 112.396 177.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 62.4 m95 -97.44 146.8 24.86 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.503 1.121 . . . . 0.0 111.318 171.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -136.67 160.83 37.63 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.955 1.702 . . . . 0.0 111.958 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -138.56 149.22 45.08 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.139 1.776 . . . . 0.0 111.315 174.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -79.67 111.86 16.37 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.671 0.669 . . . . 0.0 110.334 171.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -91.16 -152.1 27.63 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.249 1.404 . . . . 0.0 111.859 170.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -67.18 -41.97 85.01 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.766 0.826 . . . . 0.0 112.862 -178.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -106.73 -9.4 16.47 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 -170.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 153.46 -162.38 30.24 Favored Glycine 0 N--CA 1.473 1.111 0 C-N-CA 125.282 1.42 . . . . 0.0 113.079 178.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -67.99 131.82 46.17 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.824 0.85 . . . . 0.0 112.175 173.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.4 m95 -132.19 141.2 48.99 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.689 1.595 . . . . 0.0 110.684 177.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -77.79 139.37 39.33 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.166 0.586 . . . . 0.0 110.933 -175.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -67.89 153.03 44.6 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 171.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -66.76 152.56 45.28 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.051 0.94 . . . . 0.0 111.34 170.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -69.85 -18.06 63.41 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.749 0.82 . . . . 0.0 113.021 -175.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -82.84 -16.9 45.87 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.916 0.887 . . . . 0.0 112.305 172.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.1 m -100.38 -50.77 3.82 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.774 1.63 . . . . 0.0 111.735 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.6 p -61.02 -27.68 68.5 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -28.98 69.97 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 173.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.09 -39.5 72.09 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.937 0.79 . . . . 0.0 109.712 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.0 mt -70.04 -43.6 70.96 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.982 1.713 . . . . 0.0 110.855 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -57.32 -45.55 84.11 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.587 1.555 . . . . 0.0 111.969 171.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -72.7 -37.43 67.83 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.755 0.822 . . . . 0.0 110.532 -173.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.48 -50.05 71.2 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.396 1.478 . . . . 0.0 114.012 -178.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.14 -21.67 63.99 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.939 0.79 . . . . 0.0 111.659 176.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.6 t -79.19 -32.93 44.25 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.663 1.185 . . . . 0.0 112.865 174.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -72.92 -43.08 62.82 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.247 1.419 . . . . 0.0 111.585 175.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.49 -7.18 8.49 Favored Glycine 0 C--N 1.341 0.815 0 C-N-CA 124.952 1.263 . . . . 0.0 114.129 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -65.26 151.28 46.57 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.174 1.487 . . . . 0.0 112.317 173.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -98.9 -0.14 42.93 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.035 1.334 . . . . 0.0 113.211 -174.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -170.69 145.37 2.48 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.7 2.0 . . . . 0.0 109.592 176.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 t -135.57 177.1 8.08 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.305 1.042 . . . . 0.0 112.279 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -123.01 147.33 46.77 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.658 1.583 . . . . 0.0 111.549 -172.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.2 ptt? -153.67 148.76 26.8 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.147 1.379 . . . . 0.0 111.975 -173.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.67 142.1 35.26 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 125.843 1.657 . . . . 0.0 110.089 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.62 -153.05 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.835 1.254 . . . . 0.0 111.987 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.03 -15.99 16.28 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.4 15.2 0.03 OUTLIER Glycine 0 CA--C 1.535 1.292 0 N-CA-C 116.624 1.41 . . . . 0.0 116.624 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -150.16 152.4 34.62 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.712 1.256 . . . . 0.0 112.297 -169.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.35 125.54 36.14 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.827 1.251 . . . . 0.0 108.362 169.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -116.62 135.79 53.51 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.599 1.16 . . . . 0.0 111.283 170.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.9 t -89.71 121.72 40.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 C-N-CA 125.847 1.659 . . . . 0.0 106.961 171.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.13 118.82 33.48 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.955 1.302 . . . . 0.0 109.451 174.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -90.29 110.88 21.92 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.018 1.727 . . . . 0.0 109.89 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.1 mp -84.51 -6.81 59.4 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.045 1.338 . . . . 0.0 112.371 -176.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -84.09 -53.0 5.84 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.303 0.956 . . . . 0.0 111.576 173.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -95.66 -8.25 35.28 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.039 1.736 . . . . 0.0 112.22 -170.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 6.7 mmt 54.75 58.87 4.46 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.438 1.895 . . . . 0.0 111.656 -173.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.5 m -135.58 175.76 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 124.792 1.237 . . . . 0.0 111.114 173.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.98 147.23 28.33 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.752 1.221 . . . . 0.0 111.577 173.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -158.33 158.36 34.18 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.992 1.717 . . . . 0.0 111.985 -171.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.4 ttt-85 -66.76 152.26 45.84 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 120.989 -1.069 . . . . 0.0 110.872 169.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.6 mtp85 -51.81 -31.05 25.79 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 -172.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -98.43 -2.08 39.91 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 125.024 1.33 . . . . 0.0 114.267 178.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -102.98 147.28 27.14 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.012 2.125 . . . . 0.0 111.634 -169.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 28.6 p80 -149.06 -33.49 0.21 Allowed 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 174.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.51 -8.24 87.12 Favored Glycine 0 N--CA 1.476 1.334 0 C-N-CA 124.545 1.069 . . . . 0.0 115.006 -178.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.11 17.35 10.8 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.236 1.814 . . . . 0.0 112.716 -177.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 35.8 ptt-85 -54.25 139.85 34.75 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.464 1.506 . . . . 0.0 112.773 177.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -105.65 139.33 40.4 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.092 1.757 . . . . 0.0 109.827 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -65.62 146.06 55.28 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 175.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.4 pt -125.94 167.21 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.456 1.502 . . . . 0.0 109.876 167.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -155.86 170.1 22.89 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.738 1.215 . . . . 0.0 112.313 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -114.72 138.94 50.11 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.648 1.579 . . . . 0.0 109.099 168.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.92 -177.39 5.19 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.304 1.842 . . . . 0.0 111.273 -175.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.5 mm -129.51 137.98 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 125.368 1.467 . . . . 0.0 110.858 -173.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.1 mp -91.49 140.58 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.441 1.096 . . . . 0.0 110.62 170.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -99.26 -23.7 15.1 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.5 mm . . . . . 0 N--CA 1.488 1.436 0 C-N-CA 128.726 2.81 . . . . 0.0 112.46 174.774 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 CA--C 1.538 0.49 0 N-CA-C 111.367 0.136 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.0 mt -81.78 -177.83 6.72 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 122.929 1.347 . . . . 0.0 113.035 -175.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 m -102.6 159.36 29.58 Favored Pre-proline 0 CA--C 1.541 0.627 0 C-N-CA 126.931 2.093 . . . . 0.0 111.972 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -60.55 -25.26 80.32 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 124.129 3.22 . . . . 0.0 113.096 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -85.55 -11.18 54.72 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.517 1.127 . . . . 0.0 114.026 176.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -87.71 -51.66 5.75 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.832 1.253 . . . . 0.0 111.168 174.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.4 mt -60.86 -46.76 89.3 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.787 1.635 . . . . 0.0 110.786 -176.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -63.63 -38.51 91.4 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 172.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.619 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -179.099 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.537 0.448 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -170.17 152.34 4.18 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.309 1.444 . . . . 0.0 112.417 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -153.4 157.37 39.86 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.925 1.69 . . . . 0.0 110.331 176.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -118.0 146.7 43.84 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 124.544 1.138 . . . . 0.0 109.737 172.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -135.91 156.37 48.88 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.745 1.218 . . . . 0.0 111.574 -178.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -136.89 148.25 46.94 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.507 1.523 . . . . 0.0 111.314 175.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -79.19 108.7 12.89 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 122.048 -0.407 . . . . 0.0 110.333 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -91.72 -150.4 25.47 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.282 1.42 . . . . 0.0 112.243 173.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -63.59 -43.89 95.62 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.946 0.898 . . . . 0.0 112.728 -178.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -111.42 -14.92 13.67 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 -169.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 162.17 -160.51 32.63 Favored Glycine 0 N--CA 1.473 1.148 0 C-N-CA 125.039 1.304 . . . . 0.0 113.293 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -67.74 130.81 44.16 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.915 0.886 . . . . 0.0 112.359 173.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -130.71 141.05 50.38 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.564 1.546 . . . . 0.0 110.113 176.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -82.37 138.69 34.41 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.458 0.703 . . . . 0.0 111.107 -171.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -66.77 153.67 42.73 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.659 0.784 . . . . 0.0 112.583 169.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -64.31 150.41 46.17 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.858 0.863 . . . . 0.0 111.74 172.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -64.98 -24.38 67.5 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -174.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -83.19 -16.47 46.46 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.456 0.702 . . . . 0.0 111.814 175.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.2 m -95.93 -51.56 4.41 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.564 1.545 . . . . 0.0 111.667 178.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.2 p -61.13 -30.52 70.43 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.472 -0.768 . . . . 0.0 113.05 -177.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -25.76 68.5 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 174.114 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -76.92 -40.01 48.74 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.532 0.605 . . . . 0.0 109.728 178.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.2 mt -65.68 -44.71 85.39 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.474 1.51 . . . . 0.0 110.668 176.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -62.31 -30.12 70.92 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.198 1.399 . . . . 0.0 112.77 175.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -81.82 -29.71 32.5 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.21 -0.931 . . . . 0.0 111.362 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.78 -45.74 73.99 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -173.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -70.84 -18.57 62.71 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.661 0.664 . . . . 0.0 111.966 174.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.7 t -83.11 -32.19 26.85 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.739 1.216 . . . . 0.0 112.395 175.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -73.23 -42.45 62.57 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.995 1.318 . . . . 0.0 111.754 174.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.35 -7.14 9.15 Favored Glycine 0 C--N 1.343 0.919 0 C-N-CA 124.946 1.26 . . . . 0.0 114.025 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -65.87 151.75 46.0 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.094 1.447 . . . . 0.0 112.626 174.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -95.85 -5.21 42.19 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.262 1.425 . . . . 0.0 113.283 -175.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -168.48 143.61 3.47 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.56 1.944 . . . . 0.0 109.71 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 t -132.0 172.1 12.77 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.144 0.977 . . . . 0.0 112.332 176.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -120.19 146.12 46.32 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 126.042 1.737 . . . . 0.0 111.262 -173.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.5 ptt? -152.05 147.83 26.97 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.872 1.269 . . . . 0.0 112.374 -173.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.77 142.75 33.38 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.79 1.636 . . . . 0.0 110.169 177.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.87 -151.87 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.075 1.35 . . . . 0.0 111.897 -179.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.23 -17.17 25.64 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 115.516 1.673 . . . . 0.0 115.516 178.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.56 15.7 0.03 OUTLIER Glycine 0 CA--C 1.534 1.241 0 N-CA-C 116.586 1.395 . . . . 0.0 116.586 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -149.9 152.86 35.74 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.79 1.295 . . . . 0.0 112.303 -169.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.52 124.5 37.56 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.633 1.173 . . . . 0.0 108.102 169.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -114.74 136.75 52.73 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.854 1.262 . . . . 0.0 111.294 171.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.2 t -90.34 122.25 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 170.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.42 109.48 21.66 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.53 1.132 . . . . 0.0 108.702 170.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -86.62 121.7 29.51 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.701 1.201 . . . . 0.0 109.943 174.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.4 mp -88.76 -13.32 39.8 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.017 1.327 . . . . 0.0 112.581 -173.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -86.32 -40.72 15.19 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.757 1.223 . . . . 0.0 112.355 -176.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -96.62 -11.72 24.89 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.819 1.648 . . . . 0.0 111.318 175.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 54.82 67.47 1.01 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.775 2.03 . . . . 0.0 111.361 -172.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.6 m -142.89 165.99 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.935 0.894 . . . . 0.0 112.316 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -121.66 149.77 42.72 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.343 1.457 . . . . 0.0 111.245 170.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -164.63 161.03 20.68 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.018 1.727 . . . . 0.0 112.438 175.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -70.61 150.88 45.58 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 121.067 -1.02 . . . . 0.0 110.384 169.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.0 mtp-105 -55.33 -24.7 30.36 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 -171.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -98.17 -2.07 40.72 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 126.292 1.837 . . . . 0.0 114.821 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -124.0 156.16 36.95 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.538 1.535 . . . . 0.0 112.718 -168.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -150.62 -30.75 0.19 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.032 1.333 . . . . 0.0 113.632 176.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.61 -10.93 83.06 Favored Glycine 0 N--CA 1.475 1.266 0 O-C-N 120.895 -1.128 . . . . 0.0 114.9 -173.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -121.32 15.92 11.37 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.181 1.792 . . . . 0.0 112.234 -178.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 35.3 ptt-85 -51.15 146.16 6.89 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.236 1.814 . . . . 0.0 113.296 176.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -113.33 140.67 47.83 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.318 1.447 . . . . 0.0 110.516 176.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -65.52 142.22 58.2 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.513 1.125 . . . . 0.0 113.155 177.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.5 pt -124.71 169.1 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.071 1.348 . . . . 0.0 110.614 169.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.9 pttt -155.82 165.73 35.63 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.274 1.43 . . . . 0.0 112.946 174.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.1 mtp-105 -99.98 152.06 20.62 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.005 1.322 . . . . 0.0 109.288 165.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -152.3 178.33 9.63 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.273 1.429 . . . . 0.0 111.37 173.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.0 mm -130.5 139.15 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 125.331 1.452 . . . . 0.0 110.363 -174.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.0 mp -92.98 140.97 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.079 0.952 . . . . 0.0 110.524 171.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -105.86 -18.94 13.89 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.4 mm . . . . . 0 N--CA 1.486 1.357 0 C-N-CA 129.192 2.997 . . . . 0.0 111.843 176.149 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 CA--C 1.541 0.605 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.3 mt -86.91 -177.25 6.03 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.065 1.346 . . . . 0.0 112.521 -176.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 m -95.74 158.34 34.51 Favored Pre-proline 0 CA--C 1.538 0.494 0 C-N-CA 126.236 1.815 . . . . 0.0 111.711 175.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -57.69 -30.37 88.71 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 123.263 2.642 . . . . 0.0 112.074 174.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -78.37 -12.79 60.03 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.745 1.218 . . . . 0.0 113.474 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -88.19 -50.99 6.02 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 125.145 1.378 . . . . 0.0 110.525 174.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 mt -63.04 -49.11 75.88 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.08 1.352 . . . . 0.0 110.684 -177.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -65.65 -11.93 49.02 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.139 1.162 . . . . 0.0 114.139 175.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.685 0 C-N-CA 124.294 1.037 . . . . 0.0 112.068 171.796 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.535 0.37 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -171.39 152.13 3.22 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.807 1.643 . . . . 0.0 112.755 178.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -154.92 146.29 22.99 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.26 1.424 . . . . 0.0 112.112 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.1 m95 -92.05 146.67 23.54 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.443 1.097 . . . . 0.0 112.043 173.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -138.22 157.45 46.25 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.737 1.615 . . . . 0.0 112.258 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -138.78 149.49 45.05 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.014 1.725 . . . . 0.0 111.159 174.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -78.87 118.68 21.13 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.461 0.573 . . . . 0.0 110.662 171.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.99 -154.6 27.77 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 125.203 1.382 . . . . 0.0 111.334 169.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -64.08 -42.83 96.83 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.206 1.002 . . . . 0.0 113.155 -178.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -106.6 -7.26 17.49 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 -170.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 151.69 -162.16 29.54 Favored Glycine 0 N--CA 1.473 1.121 0 C-N-CA 125.245 1.403 . . . . 0.0 113.165 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -70.56 133.36 46.67 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.946 0.899 . . . . 0.0 111.888 173.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.8 m95 -132.3 141.44 48.98 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.562 1.545 . . . . 0.0 110.75 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -80.43 140.54 35.94 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.652 0.781 . . . . 0.0 110.859 -174.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -70.21 156.65 38.94 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 173.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -76.23 156.11 33.84 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.975 0.91 . . . . 0.0 110.953 170.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -68.54 -19.59 64.51 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.419 1.087 . . . . 0.0 113.792 -177.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -67.49 -33.52 75.28 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.81 0.844 . . . . 0.0 111.734 170.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.6 m -95.33 -52.0 4.35 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 127.169 2.188 . . . . 0.0 112.454 -171.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.3 p -61.07 -27.97 68.74 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.099 0.863 . . . . 0.0 113.168 -176.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -29.23 68.0 Favored 'General case' 0 C--N 1.345 0.386 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 173.147 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -72.6 -32.95 66.37 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.859 0.754 . . . . 0.0 110.693 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 39.0 mt -81.97 -44.49 16.65 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.703 1.601 . . . . 0.0 111.437 -172.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -67.39 -24.5 65.68 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 175.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -83.12 -36.24 24.96 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.459 1.104 . . . . 0.0 111.089 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.39 82.03 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.841 1.257 . . . . 0.0 113.993 -176.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -68.88 -21.49 64.24 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.957 0.799 . . . . 0.0 112.416 175.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.2 t -80.44 -29.76 37.58 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.617 1.167 . . . . 0.0 112.538 175.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -76.83 -41.9 42.43 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.925 1.29 . . . . 0.0 111.96 175.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 122.92 -7.47 9.37 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 125.097 1.332 . . . . 0.0 114.064 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -65.68 151.29 46.88 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.947 1.373 . . . . 0.0 112.322 172.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.6 pttp -99.11 0.26 43.19 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.953 1.301 . . . . 0.0 113.483 -177.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -171.39 153.42 3.56 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.686 1.995 . . . . 0.0 109.915 177.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.5 t -147.03 172.4 13.79 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.548 1.539 . . . . 0.0 111.271 -172.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -121.31 148.34 44.46 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.21 1.404 . . . . 0.0 111.821 -171.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -153.95 147.45 25.05 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.184 1.394 . . . . 0.0 112.02 -174.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.31 142.56 33.99 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.811 1.644 . . . . 0.0 109.929 176.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -121.67 -153.25 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.688 1.195 . . . . 0.0 111.87 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.87 -15.81 14.39 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 115.577 1.695 . . . . 0.0 115.577 177.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.85 16.36 0.03 OUTLIER Glycine 0 CA--C 1.534 1.232 0 N-CA-C 116.922 1.529 . . . . 0.0 116.922 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -149.77 152.52 35.37 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.746 1.273 . . . . 0.0 111.991 -169.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.96 124.86 38.24 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 169.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -117.8 139.17 51.45 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.621 1.168 . . . . 0.0 111.585 172.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.2 t -94.02 119.44 41.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 126.467 1.907 . . . . 0.0 107.075 173.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.73 126.08 39.81 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.103 1.361 . . . . 0.0 109.772 174.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -108.53 111.75 23.76 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.338 1.855 . . . . 0.0 110.234 -169.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 31.6 mt -78.19 -17.49 56.71 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.8 1.24 . . . . 0.0 113.222 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -71.97 -51.68 20.79 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.969 0.908 . . . . 0.0 111.867 -178.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -102.6 -10.16 19.51 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.45 1.9 . . . . 0.0 112.023 -175.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 57.01 64.89 1.52 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.828 2.051 . . . . 0.0 111.479 -174.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.0 m -143.43 176.1 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 126.418 1.887 . . . . 0.0 110.622 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -149.34 147.49 28.39 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.295 1.038 . . . . 0.0 112.104 173.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -158.33 165.16 35.43 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.322 1.849 . . . . 0.0 112.976 -169.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -71.57 148.13 46.95 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 120.757 -1.214 . . . . 0.0 111.857 170.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -50.63 -33.84 23.91 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.528 1.131 . . . . 0.0 113.627 174.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -88.64 -12.06 43.62 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -172.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -159.4 111.69 2.14 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 122.437 1.113 . . . . 0.0 112.067 -173.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.6 p-80 -84.66 -18.02 36.7 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.817 1.247 . . . . 0.0 113.517 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.21 -12.75 72.65 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 125.203 1.382 . . . . 0.0 114.476 -178.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -94.6 9.59 38.08 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.646 1.578 . . . . 0.0 113.517 174.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -56.49 142.82 37.49 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -173.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -123.13 145.59 48.46 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.466 1.906 . . . . 0.0 109.97 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -65.04 146.2 55.33 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.729 1.212 . . . . 0.0 114.076 -178.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 14.3 pt -129.12 163.83 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.162 1.385 . . . . 0.0 110.526 168.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 48.2 pttt -155.46 171.61 19.62 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.234 1.414 . . . . 0.0 112.269 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 58.2 mtm180 -115.51 142.29 46.92 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.05 1.34 . . . . 0.0 109.05 167.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -138.47 -179.14 5.63 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.225 1.81 . . . . 0.0 111.019 -179.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.7 mm -128.26 137.36 57.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.857 1.263 . . . . 0.0 110.851 -172.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.0 mp -90.78 140.01 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 124.346 1.058 . . . . 0.0 110.465 170.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -101.93 -22.81 14.24 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 23.0 mm . . . . . 0 N--CA 1.487 1.38 0 C-N-CA 128.8 2.84 . . . . 0.0 112.127 177.143 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 CA--C 1.538 0.512 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.7 mt -76.49 178.62 6.47 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 122.962 1.363 . . . . 0.0 113.085 -178.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.0 m -88.06 155.68 52.25 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 126.499 1.92 . . . . 0.0 111.78 175.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -61.94 -21.25 71.95 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 123.914 3.076 . . . . 0.0 113.039 177.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -80.97 -32.77 34.26 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.315 1.046 . . . . 0.0 112.241 177.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -68.18 -48.8 64.29 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.918 1.287 . . . . 0.0 111.626 -176.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 mt -65.17 -46.53 80.47 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.811 1.644 . . . . 0.0 110.113 -177.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -61.34 -40.42 94.18 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.541 0.736 . . . . 0.0 112.193 173.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.61 0 CA-C-N 119.604 1.093 . . . . 0.0 112.515 176.78 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 CA--C 1.534 0.357 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -170.58 151.74 3.68 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.624 1.569 . . . . 0.0 112.934 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -150.77 159.32 44.61 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.548 1.539 . . . . 0.0 110.998 176.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 45.3 m95 -123.51 146.75 47.84 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 124.948 1.299 . . . . 0.0 109.865 170.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -134.87 158.3 44.6 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.808 1.243 . . . . 0.0 111.651 -178.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -139.48 153.07 47.45 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.117 1.767 . . . . 0.0 110.646 176.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -78.92 108.05 12.1 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.418 0.554 . . . . 0.0 110.618 171.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.51 -154.36 30.94 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 125.937 1.732 . . . . 0.0 112.779 175.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -55.37 -48.05 74.88 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.002 1.321 . . . . 0.0 112.918 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -114.54 -11.48 12.41 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -169.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 161.02 -160.93 32.49 Favored Glycine 0 N--CA 1.473 1.13 0 C-N-CA 124.922 1.249 . . . . 0.0 113.238 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -66.63 127.52 32.72 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.897 0.879 . . . . 0.0 112.205 174.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -130.35 143.53 50.83 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.989 1.316 . . . . 0.0 110.864 175.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -80.79 138.87 36.27 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.381 0.672 . . . . 0.0 110.846 -175.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -67.0 156.78 35.1 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.43 0.692 . . . . 0.0 112.71 170.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -71.59 156.07 39.82 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.281 0.633 . . . . 0.0 110.967 171.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.72 -20.06 65.21 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.326 1.05 . . . . 0.0 113.685 -176.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -67.05 -35.33 79.63 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.808 0.843 . . . . 0.0 111.602 170.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.9 m -94.81 -49.59 5.52 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 126.795 2.038 . . . . 0.0 112.514 -170.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 94.3 p -63.3 -27.41 69.31 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 -175.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -29.63 70.79 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.927 -0.483 . . . . 0.0 112.256 173.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.35 -37.23 74.6 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.204 0.911 . . . . 0.0 110.042 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.8 mt -71.43 -45.29 63.07 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.821 1.648 . . . . 0.0 110.834 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -60.84 -39.4 88.94 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.58 1.152 . . . . 0.0 112.532 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -73.91 -36.91 64.77 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 121.672 0.749 . . . . 0.0 110.368 -174.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.09 -50.28 72.55 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.675 1.59 . . . . 0.0 114.124 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -70.2 -18.15 63.17 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.965 0.802 . . . . 0.0 111.968 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.3 t -84.1 -30.21 26.15 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.035 1.334 . . . . 0.0 112.716 175.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -74.57 -43.35 56.12 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.115 1.366 . . . . 0.0 111.539 175.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.49 -7.28 8.48 Favored Glycine 0 C--N 1.34 0.793 0 C-N-CA 124.757 1.17 . . . . 0.0 114.274 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -65.26 150.9 47.44 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.113 1.457 . . . . 0.0 112.172 173.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -98.46 -1.76 40.59 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.084 1.354 . . . . 0.0 113.067 -174.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -169.55 146.89 3.45 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.498 1.919 . . . . 0.0 109.974 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 t -137.57 179.24 6.53 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.74 1.216 . . . . 0.0 112.091 178.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -124.19 149.7 46.06 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.725 1.61 . . . . 0.0 112.187 -172.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.3 ptt? -157.17 148.62 22.13 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.16 1.384 . . . . 0.0 112.434 -174.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.09 144.54 31.16 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.086 1.754 . . . . 0.0 110.147 177.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.84 -151.71 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.851 1.26 . . . . 0.0 112.196 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.58 -17.48 22.17 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.95 17.18 0.03 OUTLIER Glycine 0 CA--C 1.532 1.121 0 N-CA-C 116.633 1.413 . . . . 0.0 116.633 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -149.69 150.98 32.93 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.779 1.289 . . . . 0.0 112.221 -170.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.15 124.57 35.47 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 168.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -114.3 134.38 54.99 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.52 1.128 . . . . 0.0 111.617 171.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 32.3 t -87.1 116.71 29.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 169.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.85 112.31 23.1 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.699 1.2 . . . . 0.0 108.913 173.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -87.65 111.57 21.42 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.184 1.394 . . . . 0.0 110.152 177.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.8 mp -81.41 -18.74 44.37 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.521 1.128 . . . . 0.0 111.74 -178.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -62.71 -52.73 62.11 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.872 0.869 . . . . 0.0 112.435 176.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -103.68 -5.12 22.9 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.355 1.462 . . . . 0.0 112.313 -174.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.4 mmt 56.34 59.09 3.82 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.151 1.78 . . . . 0.0 111.006 -171.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.43 176.09 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 124.708 1.203 . . . . 0.0 110.431 174.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.51 158.78 43.39 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 124.626 1.17 . . . . 0.0 110.737 171.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -166.67 165.06 16.75 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.953 1.701 . . . . 0.0 112.514 -175.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 -71.57 153.29 42.25 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.062 -1.024 . . . . 0.0 111.793 173.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 62.3 mtp85 -58.33 -23.11 55.62 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 171.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -67.16 -34.6 77.89 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.745 1.218 . . . . 0.0 113.687 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -168.1 141.65 3.27 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.096 1.358 . . . . 0.0 112.167 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -76.5 -11.44 59.88 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.742 1.217 . . . . 0.0 113.658 169.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -54.59 -63.21 5.42 Favored Glycine 0 N--CA 1.471 1.022 0 C-N-CA 126.928 2.204 . . . . 0.0 112.369 -176.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.59 95.33 4.53 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.019 0.91 . . . . 0.0 108.89 168.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.9 ptt-85 -118.56 156.6 28.87 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.406 1.482 . . . . 0.0 112.067 172.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -134.88 141.21 46.28 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 126.243 1.817 . . . . 0.0 109.355 -176.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -67.94 141.43 56.33 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.7 pt -124.87 170.52 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.539 1.536 . . . . 0.0 109.991 169.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 43.6 pttt -155.23 165.58 36.21 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.707 1.203 . . . . 0.0 112.932 173.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -102.97 149.09 24.88 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.715 2.006 . . . . 0.0 109.547 168.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -152.83 177.95 10.18 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.657 1.183 . . . . 0.0 112.237 176.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.3 mm -131.25 137.84 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 126.182 1.793 . . . . 0.0 109.382 -178.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.4 mp -87.05 143.65 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 123.722 0.809 . . . . 0.0 110.519 174.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -95.24 -29.32 14.57 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 23.5 mm . . . . . 0 N--CA 1.484 1.257 0 C-N-CA 128.871 2.868 . . . . 0.0 112.109 178.283 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 CA--C 1.539 0.534 0 N-CA-C 111.566 0.21 . . . . 0.0 111.566 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.5 mt -82.31 179.35 7.83 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 122.981 1.372 . . . . 0.0 113.359 -175.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.8 m -89.34 155.8 48.72 Favored Pre-proline 0 CA--C 1.541 0.603 0 C-N-CA 126.817 2.047 . . . . 0.0 112.229 176.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -63.62 -16.55 55.34 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 124.21 3.273 . . . . 0.0 113.483 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -87.67 -30.35 20.47 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.503 1.121 . . . . 0.0 112.362 176.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -68.5 -48.65 63.85 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.866 1.267 . . . . 0.0 111.609 -176.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mt -64.45 -45.56 86.93 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.833 1.653 . . . . 0.0 109.895 -177.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.89 -42.16 98.74 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.397 1.079 . . . . 0.0 111.849 173.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.579 0 CA-C-N 119.108 0.867 . . . . 0.0 112.492 177.855 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.537 0.456 0 CA-C-O 120.54 0.21 . . . . 0.0 111.55 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.0 p90 -171.18 152.03 3.32 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.634 1.574 . . . . 0.0 112.172 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -152.94 155.17 36.48 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.503 1.521 . . . . 0.0 110.872 176.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 27.5 m95 -117.97 145.97 44.33 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.806 1.243 . . . . 0.0 109.493 173.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -134.22 154.89 50.99 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.208 1.403 . . . . 0.0 111.398 -175.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -136.34 150.13 48.7 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.876 1.671 . . . . 0.0 110.968 177.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -74.6 117.45 16.45 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.574 0.624 . . . . 0.0 110.937 172.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.13 -159.56 33.35 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 125.501 1.524 . . . . 0.0 112.155 169.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -67.17 -28.85 68.45 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.207 1.003 . . . . 0.0 113.573 -178.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -134.45 -3.13 2.7 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 117.533 2.419 . . . . 0.0 117.533 -168.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.72 -171.15 43.93 Favored Glycine 0 N--CA 1.471 1.029 0 C-N-CA 125.43 1.49 . . . . 0.0 114.062 173.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -76.62 130.31 37.64 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.882 0.873 . . . . 0.0 110.923 169.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 69.7 m95 -130.12 145.23 51.68 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.99 1.316 . . . . 0.0 111.016 -177.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -84.23 139.94 32.02 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.281 0.632 . . . . 0.0 112.178 -169.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -68.8 156.48 38.29 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.97 0.908 . . . . 0.0 112.305 168.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -62.98 154.42 30.62 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.603 1.161 . . . . 0.0 112.447 175.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -66.86 -20.98 66.02 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.758 1.223 . . . . 0.0 113.183 -176.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 -94.27 -12.09 28.83 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.303 1.041 . . . . 0.0 112.223 176.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.0 m -97.0 -54.02 3.32 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.284 1.433 . . . . 0.0 111.255 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.4 p -59.03 -30.6 68.14 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -178.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -24.58 67.79 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.958 0.903 . . . . 0.0 113.077 174.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -80.11 -39.08 30.31 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.876 0.762 . . . . 0.0 110.253 177.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.0 mt -64.6 -43.69 93.01 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.05 1.34 . . . . 0.0 110.884 175.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -61.45 -28.23 69.13 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.061 1.344 . . . . 0.0 112.911 174.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -83.77 -30.39 26.67 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.032 -1.043 . . . . 0.0 112.313 -178.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.91 79.44 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.701 1.2 . . . . 0.0 113.973 -175.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -68.32 -24.6 64.85 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.82 0.736 . . . . 0.0 111.499 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.8 t -78.37 -29.29 47.34 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.957 1.303 . . . . 0.0 112.579 177.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -73.52 -42.44 61.75 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.716 1.206 . . . . 0.0 111.264 169.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.48 -7.73 7.91 Favored Glycine 0 C--N 1.341 0.843 0 C-N-CA 125.502 1.525 . . . . 0.0 114.192 176.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -63.85 155.9 29.11 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.242 1.521 . . . . 0.0 112.808 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -101.5 -2.07 31.57 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.169 1.388 . . . . 0.0 113.364 -176.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -169.22 141.17 2.5 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.886 2.074 . . . . 0.0 109.746 176.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.1 t -130.43 -178.23 4.68 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.914 1.285 . . . . 0.0 111.847 178.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -129.23 145.85 51.26 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 125.66 1.584 . . . . 0.0 111.594 -171.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.4 ptt? -151.51 148.33 27.91 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.093 1.357 . . . . 0.0 112.184 -174.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.55 142.41 34.34 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.806 1.642 . . . . 0.0 110.035 178.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.4 -152.96 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 125.034 1.333 . . . . 0.0 111.862 -179.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.46 -15.82 19.88 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 115.648 1.722 . . . . 0.0 115.648 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.7 15.28 0.03 OUTLIER Glycine 0 CA--C 1.534 1.249 0 N-CA-C 116.694 1.438 . . . . 0.0 116.694 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -150.03 153.28 36.23 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.781 1.291 . . . . 0.0 112.007 -169.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.58 124.5 37.62 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.521 1.128 . . . . 0.0 108.076 169.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -113.99 131.79 56.21 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.644 1.178 . . . . 0.0 111.341 170.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.0 t -85.74 116.17 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 125.832 1.653 . . . . 0.0 106.99 173.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.3 109.77 20.86 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.79 1.236 . . . . 0.0 109.038 174.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -86.86 114.58 23.63 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.308 1.443 . . . . 0.0 110.357 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.4 mp -83.44 -18.32 39.06 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.917 1.287 . . . . 0.0 112.095 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -65.96 -53.12 43.09 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.023 0.829 . . . . 0.0 112.021 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -101.79 -8.84 21.33 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.828 1.651 . . . . 0.0 111.991 -174.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 56.71 65.32 1.43 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.475 1.91 . . . . 0.0 110.725 -173.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.3 m -138.55 172.59 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 125.829 1.652 . . . . 0.0 110.494 175.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.1 141.26 29.92 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.798 0.839 . . . . 0.0 111.92 175.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -151.85 160.26 43.6 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.426 1.49 . . . . 0.0 113.868 -174.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -71.44 143.02 50.23 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.9 0.88 . . . . 0.0 111.236 173.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 72.9 mtp85 -52.12 -26.98 12.56 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -66.11 -30.88 71.46 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -177.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -166.27 124.12 1.43 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.141 0.976 . . . . 0.0 112.259 -172.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -68.78 -15.77 63.6 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -73.52 -22.33 78.62 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 125.504 1.526 . . . . 0.0 113.953 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -87.73 62.78 7.17 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.016 1.326 . . . . 0.0 110.324 174.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.3 ptt-85 -112.94 149.62 32.96 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.954 1.302 . . . . 0.0 114.456 -171.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -130.1 143.14 50.62 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.016 2.126 . . . . 0.0 109.869 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt -65.95 142.54 57.83 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.285 1.034 . . . . 0.0 113.203 179.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.3 pt -130.12 166.87 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.089 1.356 . . . . 0.0 111.479 170.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -156.45 165.34 36.59 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.485 1.514 . . . . 0.0 112.613 177.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.6 mtp-105 -102.5 152.62 20.93 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.458 1.503 . . . . 0.0 111.267 169.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.2 -179.24 7.35 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.431 1.492 . . . . 0.0 111.876 171.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.0 mm -128.23 140.5 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 126.417 1.887 . . . . 0.0 110.151 -177.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.1 mp -92.11 140.6 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 123.89 0.876 . . . . 0.0 110.393 171.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -106.8 -17.54 14.18 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.0 mm . . . . . 0 N--CA 1.485 1.324 0 C-N-CA 129.24 3.016 . . . . 0.0 111.886 176.345 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 CA--C 1.538 0.51 0 N-CA-C 111.376 0.139 . . . . 0.0 111.376 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.4 mt -83.51 -176.81 6.49 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 122.801 1.286 . . . . 0.0 113.118 -175.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.1 m -101.29 158.56 31.55 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 127.002 2.121 . . . . 0.0 112.094 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -61.48 -23.37 76.55 Favored 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 124.242 3.294 . . . . 0.0 113.26 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -87.73 -11.57 47.81 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.531 1.132 . . . . 0.0 113.902 176.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -86.57 -51.37 6.2 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.674 1.19 . . . . 0.0 111.114 175.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.25 -46.97 88.19 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.979 1.712 . . . . 0.0 110.666 -176.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -62.87 -38.92 92.78 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.101 173.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.628 0 CA-C-N 119.099 0.863 . . . . 0.0 113.063 179.209 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 CA--C 1.537 0.446 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -172.16 150.67 2.49 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.719 1.607 . . . . 0.0 112.835 178.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -154.35 150.8 28.33 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.261 1.424 . . . . 0.0 112.423 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 67.4 m95 -96.54 145.09 26.02 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.044 1.338 . . . . 0.0 111.252 172.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -138.25 157.19 46.76 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.215 1.406 . . . . 0.0 112.394 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -138.9 148.87 44.17 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.758 1.623 . . . . 0.0 111.561 174.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -77.68 115.82 17.74 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 118.26 0.482 . . . . 0.0 109.97 171.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -115.32 -139.29 6.79 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 125.348 1.451 . . . . 0.0 112.783 177.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 47.1 ptt85 -54.7 -32.55 59.7 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 116.624 2.083 . . . . 0.0 116.624 -170.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -143.11 -9.12 0.78 Allowed 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -173.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 164.24 -159.6 32.48 Favored Glycine 0 N--CA 1.469 0.876 0 C-N-CA 125.361 1.458 . . . . 0.0 112.388 -176.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -67.97 130.61 43.49 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.941 0.896 . . . . 0.0 112.47 176.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.9 m95 -130.2 141.04 50.68 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.94 1.696 . . . . 0.0 110.199 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -79.14 141.06 37.59 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.401 0.68 . . . . 0.0 110.982 -174.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -68.17 158.39 33.29 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 172.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -72.72 154.22 40.79 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.679 1.192 . . . . 0.0 112.038 172.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -68.44 -20.66 64.65 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.684 1.194 . . . . 0.0 113.311 -176.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -93.67 -10.83 33.14 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.181 0.993 . . . . 0.0 112.286 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.9 m -100.28 -53.39 3.13 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.276 1.43 . . . . 0.0 111.387 177.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 65.0 p -58.92 -28.55 66.32 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -24.77 67.72 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.98 0.912 . . . . 0.0 113.247 173.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -76.42 -36.74 57.84 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.942 0.792 . . . . 0.0 110.463 176.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.1 mt -72.13 -41.14 67.53 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.639 1.576 . . . . 0.0 110.799 178.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -56.66 -36.51 69.62 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.041 1.736 . . . . 0.0 112.48 169.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -80.13 -38.38 31.65 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.04 -1.037 . . . . 0.0 111.466 -175.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.41 -50.11 71.1 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.26 1.424 . . . . 0.0 113.971 -175.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -67.33 -24.0 65.68 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.266 0.484 . . . . 0.0 111.589 177.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -78.5 -30.64 47.32 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.708 1.203 . . . . 0.0 112.654 176.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -73.5 -42.9 61.22 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.659 1.184 . . . . 0.0 111.972 174.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.94 -7.24 8.8 Favored Glycine 0 N--CA 1.468 0.803 0 C-N-CA 124.895 1.236 . . . . 0.0 114.252 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -64.65 153.31 39.86 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.059 1.429 . . . . 0.0 112.317 172.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -97.85 -3.45 38.69 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.789 1.236 . . . . 0.0 113.356 -176.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -170.12 153.61 4.67 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 126.332 1.853 . . . . 0.0 110.176 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 t -147.39 176.38 10.06 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.372 1.469 . . . . 0.0 111.411 -175.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -125.42 144.93 50.29 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 125.202 1.401 . . . . 0.0 111.695 -169.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 10.3 ptt? -151.67 147.26 26.52 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.046 1.338 . . . . 0.0 112.255 -174.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.84 142.93 33.53 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.819 1.648 . . . . 0.0 110.299 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.58 -152.24 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.97 1.308 . . . . 0.0 112.162 -179.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.63 -16.83 17.78 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.59 14.78 0.03 OUTLIER Glycine 0 CA--C 1.534 1.22 0 N-CA-C 116.597 1.399 . . . . 0.0 116.597 178.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -148.61 153.56 38.49 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.909 1.354 . . . . 0.0 112.198 -169.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.21 125.02 37.59 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.524 1.129 . . . . 0.0 108.234 169.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -113.9 132.76 55.8 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.839 1.256 . . . . 0.0 111.429 171.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.8 t -89.47 120.79 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 C-N-CA 125.888 1.675 . . . . 0.0 107.206 171.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.02 121.21 41.38 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.332 1.453 . . . . 0.0 109.893 177.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -104.64 119.85 39.95 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.844 1.658 . . . . 0.0 111.069 -174.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.2 mt -78.98 -16.22 57.22 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.618 1.567 . . . . 0.0 113.821 -176.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -85.96 -47.53 9.53 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.946 0.898 . . . . 0.0 112.103 -173.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -94.84 -11.84 28.08 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.555 1.542 . . . . 0.0 111.878 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mmt 54.96 64.54 1.77 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.55 1.94 . . . . 0.0 111.198 -172.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.6 m -140.04 168.36 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.83 1.252 . . . . 0.0 111.304 176.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -126.98 152.77 46.76 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.599 1.56 . . . . 0.0 110.531 170.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -160.85 161.98 32.05 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.304 1.441 . . . . 0.0 113.642 176.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -70.95 149.37 46.76 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.348 0.659 . . . . 0.0 111.225 169.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 70.7 mtp85 -57.52 -25.23 59.56 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -178.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -67.51 -32.02 72.55 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 -174.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -165.03 126.01 2.01 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.554 1.142 . . . . 0.0 111.563 -175.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -66.94 -15.94 64.02 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.67 -19.9 79.72 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.361 1.457 . . . . 0.0 114.092 177.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.6 tpt85 -86.25 62.07 7.21 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.11 1.364 . . . . 0.0 109.692 175.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -115.41 156.31 25.81 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 -169.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 80.9 mtt85 -134.38 146.31 49.77 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 127.043 2.137 . . . . 0.0 110.163 172.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -67.56 142.89 56.36 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.684 1.194 . . . . 0.0 114.003 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.1 pt -123.68 166.99 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.301 1.44 . . . . 0.0 109.843 168.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -154.26 170.54 21.01 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.225 1.41 . . . . 0.0 111.871 175.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -120.04 139.27 52.77 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.277 1.431 . . . . 0.0 109.225 169.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -141.57 -177.98 5.42 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.898 1.679 . . . . 0.0 111.581 -173.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.2 mm -130.84 136.83 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 125.57 1.548 . . . . 0.0 110.101 -172.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.3 mp -86.95 143.48 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.121 0.968 . . . . 0.0 110.844 174.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -96.14 -26.47 15.46 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.5 mm . . . . . 0 N--CA 1.486 1.338 0 C-N-CA 129.154 2.981 . . . . 0.0 111.835 179.075 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.9 mt -89.95 -179.75 5.78 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.934 1.294 . . . . 0.0 112.451 -177.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.0 m -92.01 157.07 41.71 Favored Pre-proline 0 CA--C 1.539 0.544 0 C-N-CA 126.197 1.799 . . . . 0.0 111.722 174.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -61.35 -21.96 73.25 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 123.881 3.054 . . . . 0.0 113.07 177.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -78.41 -32.6 48.77 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.251 1.021 . . . . 0.0 112.398 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -70.76 -48.45 54.32 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.967 1.307 . . . . 0.0 111.983 -174.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mt -63.8 -41.56 97.89 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.813 1.645 . . . . 0.0 110.202 -177.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -64.54 -46.41 82.98 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.584 0.754 . . . . 0.0 111.983 169.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.609 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -177.525 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.466 0.366 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -172.24 153.61 3.08 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.077 1.751 . . . . 0.0 112.105 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -153.13 152.46 31.3 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.952 1.701 . . . . 0.0 110.223 175.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -118.6 146.44 44.62 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 124.626 1.17 . . . . 0.0 109.692 173.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -136.78 157.47 46.69 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.765 1.226 . . . . 0.0 111.456 -177.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -136.02 149.51 48.84 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.503 1.521 . . . . 0.0 111.385 175.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -75.48 91.73 2.81 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.327 0.512 . . . . 0.0 111.481 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.38 -177.88 52.11 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 124.363 0.983 . . . . 0.0 112.703 173.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -60.0 -33.91 72.63 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -171.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -108.45 -7.08 15.88 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 -177.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 151.54 -171.05 31.09 Favored Glycine 0 N--CA 1.473 1.126 0 C-N-CA 125.92 1.724 . . . . 0.0 112.805 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -63.58 127.11 29.86 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.259 0.624 . . . . 0.0 111.643 172.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -125.23 142.72 51.32 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.407 1.083 . . . . 0.0 111.31 175.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -82.1 138.28 34.82 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.729 0.812 . . . . 0.0 111.328 -172.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -69.16 150.67 47.26 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.757 0.823 . . . . 0.0 111.861 169.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -58.73 154.0 15.59 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.283 1.433 . . . . 0.0 112.791 176.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -68.11 -19.79 64.87 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.478 1.111 . . . . 0.0 113.285 -174.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.3 mmt85 -95.35 -12.0 26.81 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.41 1.084 . . . . 0.0 112.042 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.5 m -97.4 -53.59 3.41 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.5 1.52 . . . . 0.0 111.241 176.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.5 p -58.06 -30.66 66.38 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.129 0.972 . . . . 0.0 113.225 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -27.97 69.77 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 174.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -73.07 -39.33 65.96 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.921 0.782 . . . . 0.0 109.904 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.8 mt -66.88 -44.38 81.03 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.718 1.607 . . . . 0.0 110.608 177.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -62.49 -31.05 71.74 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.313 1.445 . . . . 0.0 112.923 175.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -80.78 -36.81 31.33 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.246 -0.909 . . . . 0.0 110.778 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.44 -49.11 76.76 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.787 1.235 . . . . 0.0 114.114 -174.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -69.45 -19.02 63.78 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.79 0.723 . . . . 0.0 111.96 176.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.2 t -83.17 -31.0 27.36 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.916 1.286 . . . . 0.0 112.604 175.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -73.49 -42.34 61.96 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.113 1.365 . . . . 0.0 111.682 175.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.7 -7.38 8.34 Favored Glycine 0 C--N 1.34 0.779 0 C-N-CA 124.924 1.25 . . . . 0.0 114.174 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -65.34 151.66 45.71 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 119.158 1.479 . . . . 0.0 112.48 173.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -98.85 -0.41 42.49 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.161 1.384 . . . . 0.0 113.091 -175.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -171.64 147.92 2.37 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 126.885 2.074 . . . . 0.0 109.553 176.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.4 t -136.55 179.58 6.28 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.375 1.07 . . . . 0.0 111.748 178.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -128.92 146.57 50.92 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 125.631 1.573 . . . . 0.0 111.592 -171.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.2 ptt? -152.21 146.7 25.64 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.954 1.302 . . . . 0.0 112.101 -174.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.93 142.56 33.03 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.807 1.643 . . . . 0.0 109.93 177.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.32 -152.79 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.872 1.269 . . . . 0.0 111.734 -179.012 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.24 -15.9 18.06 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 115.556 1.687 . . . . 0.0 115.556 178.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.92 15.58 0.03 OUTLIER Glycine 0 CA--C 1.533 1.179 0 N-CA-C 116.803 1.481 . . . . 0.0 116.803 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -149.97 154.28 37.98 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.839 1.319 . . . . 0.0 111.993 -169.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.63 124.38 38.63 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.416 1.086 . . . . 0.0 108.079 169.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -112.68 130.9 55.89 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.46 1.104 . . . . 0.0 111.461 170.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.5 t -83.68 120.49 34.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 106.797 -1.556 . . . . 0.0 106.797 169.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.47 108.39 19.87 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 124.166 0.986 . . . . 0.0 108.458 170.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -82.21 111.81 18.65 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.374 1.47 . . . . 0.0 109.163 176.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.8 mp -86.92 -8.47 57.22 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.905 1.282 . . . . 0.0 112.46 -177.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -79.03 -52.61 7.98 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.417 1.008 . . . . 0.0 111.015 173.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -94.43 -10.07 33.58 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.339 1.856 . . . . 0.0 112.128 -173.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.3 mmt 55.96 64.81 1.61 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.659 1.984 . . . . 0.0 111.329 -173.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.9 m -142.76 154.29 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 O-C-N 121.238 -0.914 . . . . 0.0 112.347 178.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -101.3 145.97 28.17 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.814 0.846 . . . . 0.0 109.707 168.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -161.53 160.25 28.81 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.706 1.202 . . . . 0.0 113.783 171.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -79.27 137.1 37.24 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.975 1.31 . . . . 0.0 111.175 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -47.45 -45.85 26.25 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.356 1.462 . . . . 0.0 114.516 -175.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -92.43 0.44 57.44 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.961 1.304 . . . . 0.0 113.759 -175.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -148.01 50.23 1.04 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.604 1.562 . . . . 0.0 109.639 -169.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 39.0 p-80 -64.86 -18.17 64.92 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -169.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.83 -37.21 92.12 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.941 1.258 . . . . 0.0 112.617 175.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.8 mmm-85 -71.35 102.36 2.59 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.053 0.941 . . . . 0.0 109.569 169.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 31.6 ptt-85 -146.51 162.9 37.33 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.552 1.141 . . . . 0.0 113.435 -174.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.4 ptt-85 -158.25 149.94 21.43 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.814 1.646 . . . . 0.0 111.339 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -64.47 144.64 57.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.583 1.553 . . . . 0.0 114.003 -172.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.9 pt -122.15 170.48 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.913 1.685 . . . . 0.0 110.681 170.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.7 pttt -155.73 165.75 35.58 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.719 1.208 . . . . 0.0 113.07 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.7 mtp-105 -103.92 152.23 22.21 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.548 1.539 . . . . 0.0 110.647 167.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -150.28 168.57 23.67 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.368 1.867 . . . . 0.0 110.939 172.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.3 mm -123.97 134.63 65.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.508 1.523 . . . . 0.0 109.074 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.4 mp -85.62 141.11 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 123.745 0.818 . . . . 0.0 110.611 175.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -99.18 -22.06 15.83 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 23.2 mm . . . . . 0 N--CA 1.486 1.326 0 C-N-CA 128.874 2.87 . . . . 0.0 112.005 176.391 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.543 0.68 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.3 mt -93.06 -177.8 4.6 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.951 1.301 . . . . 0.0 112.783 -176.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 m -93.9 156.28 39.46 Favored Pre-proline 0 CA--C 1.539 0.55 0 C-N-CA 126.838 2.055 . . . . 0.0 112.347 177.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -60.54 -22.36 71.9 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 123.856 3.037 . . . . 0.0 113.014 176.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -87.27 -11.94 48.12 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.523 1.129 . . . . 0.0 113.253 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -88.55 -51.0 5.93 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.962 1.305 . . . . 0.0 110.736 175.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mt -61.03 -48.65 80.79 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 125.488 1.515 . . . . 0.0 110.523 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -64.67 -28.3 69.51 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 176.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.613 0 C-N-CA 123.748 0.819 . . . . 0.0 112.096 175.039 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.469 0.5 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.2 p90 -171.46 152.01 3.16 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.269 1.828 . . . . 0.0 112.662 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -155.62 157.38 36.63 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.465 1.506 . . . . 0.0 111.321 176.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -111.51 149.8 30.85 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.476 1.11 . . . . 0.0 110.074 169.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -135.85 157.06 47.79 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.003 1.321 . . . . 0.0 111.527 178.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -136.76 148.33 47.18 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.061 1.344 . . . . 0.0 112.062 176.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.38 100.96 10.3 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.856 1.262 . . . . 0.0 109.015 -177.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.99 -143.16 8.5 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 124.684 1.135 . . . . 0.0 112.388 -176.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -89.72 -23.87 21.7 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.267 1.027 . . . . 0.0 113.63 -178.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -124.86 -6.2 7.38 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.992 1.478 . . . . 0.0 114.992 -175.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 155.26 -168.61 33.12 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 125.65 1.595 . . . . 0.0 113.13 178.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -68.58 128.21 35.8 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.586 0.754 . . . . 0.0 111.372 171.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 43.8 m95 -126.38 141.47 51.89 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.121 1.368 . . . . 0.0 110.979 177.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -79.41 139.15 37.78 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.287 0.635 . . . . 0.0 111.122 -173.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -68.79 158.49 34.26 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.931 0.892 . . . . 0.0 113.239 170.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -69.26 154.87 41.35 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.332 1.053 . . . . 0.0 112.15 171.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -68.12 -21.29 64.94 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.632 1.173 . . . . 0.0 113.362 -176.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.7 mmt85 -93.41 -13.98 27.34 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.003 0.921 . . . . 0.0 112.149 177.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.1 m -95.9 -52.62 3.99 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.235 1.414 . . . . 0.0 111.281 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.1 p -59.34 -29.31 67.57 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.321 0.859 . . . . 0.0 113.321 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -28.42 69.97 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 119.006 -0.521 . . . . 0.0 112.289 174.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -72.24 -38.33 68.93 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.08 0.854 . . . . 0.0 109.989 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.4 mt -68.71 -44.69 73.39 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.744 1.618 . . . . 0.0 110.699 177.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -62.43 -32.84 73.76 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.54 1.536 . . . . 0.0 112.871 176.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -81.2 -35.07 31.82 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.265 1.026 . . . . 0.0 111.158 -178.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.68 -49.5 74.87 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.754 1.222 . . . . 0.0 114.146 -175.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -68.57 -21.59 64.52 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 118.928 0.786 . . . . 0.0 111.826 176.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.1 t -80.69 -30.68 36.41 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.892 1.277 . . . . 0.0 112.547 176.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -73.62 -42.73 61.1 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.126 1.37 . . . . 0.0 111.703 173.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.51 -7.44 7.93 Favored Glycine 0 N--CA 1.468 0.833 0 C-N-CA 124.964 1.268 . . . . 0.0 114.171 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -65.89 151.83 45.84 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.255 1.527 . . . . 0.0 112.414 173.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -99.64 0.69 42.55 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.196 1.398 . . . . 0.0 113.31 -175.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -171.72 147.23 2.24 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.884 2.074 . . . . 0.0 109.496 176.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.2 t -136.25 176.95 8.23 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.177 0.991 . . . . 0.0 112.001 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -125.1 147.71 48.87 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 125.705 1.602 . . . . 0.0 111.627 -171.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.1 ptt? -155.07 146.13 22.68 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.777 1.231 . . . . 0.0 112.226 -174.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.54 143.02 32.03 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.842 1.657 . . . . 0.0 110.131 177.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.31 -151.94 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.069 1.348 . . . . 0.0 111.794 -178.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.27 -17.48 29.04 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 178.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.83 16.91 0.03 OUTLIER Glycine 0 CA--C 1.534 1.22 0 N-CA-C 116.53 1.372 . . . . 0.0 116.53 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -148.71 152.29 36.38 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.735 1.267 . . . . 0.0 111.899 -171.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.45 122.09 35.53 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 168.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -109.37 130.18 55.51 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 124.691 1.196 . . . . 0.0 110.954 171.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.3 t -86.41 116.04 28.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 170.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.62 110.82 20.66 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.292 1.037 . . . . 0.0 108.81 172.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -84.16 110.81 18.8 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.785 1.634 . . . . 0.0 109.379 178.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.8 mp -86.07 -9.0 57.5 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.695 1.198 . . . . 0.0 112.624 -177.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -77.87 -50.3 12.53 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.085 0.857 . . . . 0.0 111.502 174.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -99.19 -10.18 22.78 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.201 1.801 . . . . 0.0 112.048 -172.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.4 mmt 54.19 65.49 1.49 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.406 1.882 . . . . 0.0 111.122 -172.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.7 m -139.22 168.84 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 125.506 1.522 . . . . 0.0 110.818 174.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -122.62 147.2 46.71 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.723 1.609 . . . . 0.0 110.113 169.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -155.52 150.85 26.98 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.968 1.307 . . . . 0.0 112.53 174.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -78.92 141.99 37.12 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.834 1.654 . . . . 0.0 111.428 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -58.63 -18.89 34.26 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -175.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -75.34 -21.09 58.65 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -156.64 127.41 6.75 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 122.371 1.081 . . . . 0.0 112.72 177.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -86.28 -26.19 25.1 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.459 1.103 . . . . 0.0 113.653 -173.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -76.57 -47.28 10.39 Favored Glycine 0 N--CA 1.471 0.989 0 C-N-CA 124.168 0.89 . . . . 0.0 112.315 -174.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -66.15 114.36 5.21 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.315 1.046 . . . . 0.0 109.355 172.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.7 ptt-85 -150.82 156.99 42.37 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.079 1.352 . . . . 0.0 112.184 -171.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -129.89 144.69 51.45 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.567 1.547 . . . . 0.0 110.065 177.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.3 mmmt -65.51 147.33 53.59 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.46 1.104 . . . . 0.0 113.773 -177.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.8 pt -130.55 167.16 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 124.879 1.272 . . . . 0.0 110.269 168.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 43.6 pttt -155.33 165.55 36.29 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.835 1.254 . . . . 0.0 112.979 176.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -105.26 146.41 29.36 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.261 1.825 . . . . 0.0 109.597 168.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.22 179.6 8.38 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.411 1.484 . . . . 0.0 111.972 -178.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.9 mm -131.22 139.88 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 126.07 1.748 . . . . 0.0 110.204 -175.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.3 mp -90.24 141.19 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 123.951 0.901 . . . . 0.0 110.261 171.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -100.94 -18.47 16.31 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 26.2 mm . . . . . 0 N--CA 1.486 1.33 0 C-N-CA 128.766 2.826 . . . . 0.0 112.16 174.356 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 CA--C 1.542 0.648 0 N-CA-C 111.695 0.258 . . . . 0.0 111.695 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.3 mt -87.21 -178.55 6.25 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.933 1.293 . . . . 0.0 112.456 -177.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.7 m -94.18 157.78 37.08 Favored Pre-proline 0 CA--C 1.538 0.484 0 C-N-CA 126.349 1.86 . . . . 0.0 111.618 175.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -60.11 -25.3 79.49 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.737 2.958 . . . . 0.0 112.776 177.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -76.37 -33.48 58.91 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.346 1.058 . . . . 0.0 112.383 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -69.53 -48.93 58.85 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.801 1.24 . . . . 0.0 111.493 -177.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.3 mt -64.49 -47.19 79.88 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.687 1.595 . . . . 0.0 110.291 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -60.33 -38.72 84.62 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 171.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.691 0 CA-C-N 119.667 1.121 . . . . 0.0 112.615 176.354 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 . . . . . 0 N--CA 1.469 0.514 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -170.85 152.43 3.64 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.504 1.521 . . . . 0.0 112.583 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -153.13 158.62 42.1 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.95 1.7 . . . . 0.0 110.448 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -118.52 149.44 41.3 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.429 1.092 . . . . 0.0 109.993 170.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -137.46 155.89 48.8 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.968 1.307 . . . . 0.0 111.357 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -135.57 149.11 49.31 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.304 1.442 . . . . 0.0 111.282 174.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -80.94 104.07 11.2 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 118.26 0.482 . . . . 0.0 110.735 175.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.96 -156.22 27.19 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.356 0.979 . . . . 0.0 111.696 169.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 82.7 mmt-85 -61.28 -43.53 98.73 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.951 0.9 . . . . 0.0 113.422 -177.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -107.08 -9.92 16.05 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 -170.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 153.41 -161.61 29.84 Favored Glycine 0 N--CA 1.472 1.067 0 C-N-CA 125.275 1.417 . . . . 0.0 113.165 178.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -66.67 129.36 39.6 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.084 0.954 . . . . 0.0 112.378 174.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 61.3 m95 -129.47 139.26 51.64 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.408 1.483 . . . . 0.0 110.61 175.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -82.12 140.37 33.84 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.621 0.768 . . . . 0.0 111.557 -170.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -71.5 156.28 39.62 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.949 0.899 . . . . 0.0 112.854 169.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -66.04 156.32 34.13 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.811 1.244 . . . . 0.0 112.248 172.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -66.88 -22.1 65.98 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.634 1.174 . . . . 0.0 113.192 -176.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -92.74 -13.85 28.75 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.898 0.879 . . . . 0.0 112.23 177.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.4 m -95.86 -52.53 4.03 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.086 1.354 . . . . 0.0 111.314 176.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.3 p -59.88 -29.37 68.27 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -28.36 69.98 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-O 118.911 -0.566 . . . . 0.0 112.422 174.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -72.46 -39.03 68.08 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.107 0.867 . . . . 0.0 110.001 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.1 mt -67.69 -44.83 76.82 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.655 1.582 . . . . 0.0 110.669 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -63.84 -30.68 71.75 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.279 1.432 . . . . 0.0 112.83 176.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -81.69 -37.55 27.2 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.053 0.941 . . . . 0.0 110.954 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.96 -49.18 78.67 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.814 1.246 . . . . 0.0 114.157 -176.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -69.46 -18.66 63.73 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.722 0.692 . . . . 0.0 112.095 176.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.8 t -84.53 -30.07 25.42 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.012 1.325 . . . . 0.0 112.56 175.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -74.73 -42.61 57.97 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.135 1.374 . . . . 0.0 111.736 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.12 -7.49 8.1 Favored Glycine 0 C--N 1.34 0.802 0 C-N-CA 124.87 1.224 . . . . 0.0 114.199 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -65.8 151.16 47.27 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.116 1.458 . . . . 0.0 112.266 172.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.9 pttt -98.57 -0.73 42.6 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.891 1.276 . . . . 0.0 113.334 -175.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -170.42 146.57 2.85 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.88 2.072 . . . . 0.0 109.421 178.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 t -134.74 176.69 8.41 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.293 1.037 . . . . 0.0 111.904 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -126.57 145.36 50.57 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.569 1.547 . . . . 0.0 111.488 -172.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.6 ptt? -151.16 146.35 26.06 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.873 1.269 . . . . 0.0 112.077 -173.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.39 142.82 32.22 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.819 1.648 . . . . 0.0 109.906 177.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.82 -152.84 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.968 1.307 . . . . 0.0 111.635 -179.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.29 -16.07 19.56 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 178.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.72 16.13 0.03 OUTLIER Glycine 0 CA--C 1.534 1.264 0 N-CA-C 116.637 1.415 . . . . 0.0 116.637 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -150.28 152.66 34.86 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.841 1.321 . . . . 0.0 112.129 -169.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.14 124.78 37.36 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 169.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -113.4 130.21 56.35 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.574 1.15 . . . . 0.0 111.296 170.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.8 t -85.86 113.79 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 125.772 1.629 . . . . 0.0 107.093 171.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.45 108.51 19.42 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.378 1.071 . . . . 0.0 108.994 173.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -84.0 114.94 22.07 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.12 1.368 . . . . 0.0 110.495 176.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.0 mp -86.15 -13.37 47.29 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.953 1.301 . . . . 0.0 112.19 -178.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -65.99 -54.66 23.34 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.386 0.994 . . . . 0.0 111.78 174.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -101.86 -5.99 24.1 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.633 1.573 . . . . 0.0 112.424 -173.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.7 mmt 58.07 65.08 1.36 Allowed 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.79 2.036 . . . . 0.0 111.085 -173.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.5 m -140.34 170.25 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 124.235 1.014 . . . . 0.0 111.341 177.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -142.98 136.28 28.32 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.169 0.988 . . . . 0.0 111.774 177.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -151.47 163.64 38.54 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.965 1.706 . . . . 0.0 113.956 -172.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -73.37 148.01 43.79 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 121.331 -0.856 . . . . 0.0 111.64 172.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -54.91 -24.86 25.5 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -178.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -68.99 -30.84 69.33 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -177.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -165.2 129.13 2.35 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.68 0.792 . . . . 0.0 112.91 -171.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -65.36 -15.8 62.94 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 175.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.42 -17.03 79.74 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 125.689 1.614 . . . . 0.0 114.053 177.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.4 tpt85 -83.45 39.26 0.66 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.006 1.723 . . . . 0.0 111.441 175.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.8 ptt-85 -99.17 148.75 23.77 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 115.763 1.764 . . . . 0.0 115.763 -169.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -131.05 145.79 52.15 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 127.764 2.426 . . . . 0.0 109.549 172.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -65.86 143.06 57.69 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.333 1.053 . . . . 0.0 113.341 178.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.2 pt -125.79 168.78 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.973 1.309 . . . . 0.0 111.001 169.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -155.84 165.62 35.94 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.321 1.449 . . . . 0.0 112.901 174.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.9 mtp-105 -99.92 151.62 21.11 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.22 1.408 . . . . 0.0 109.243 166.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.03 178.63 9.49 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.16 1.384 . . . . 0.0 111.587 174.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.5 mm -130.61 140.34 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 125.546 1.539 . . . . 0.0 110.353 -175.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.1 mp -92.05 140.54 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.277 1.031 . . . . 0.0 110.673 171.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -104.38 -18.41 14.43 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.6 mm . . . . . 0 N--CA 1.486 1.336 0 C-N-CA 129.09 2.956 . . . . 0.0 111.628 178.004 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 CA--C 1.542 0.666 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.5 mt -77.52 -179.97 6.15 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 122.774 1.273 . . . . 0.0 112.46 175.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.7 m -86.53 155.21 56.73 Favored Pre-proline 0 CA--C 1.537 0.468 0 C-N-CA 126.149 1.78 . . . . 0.0 111.927 175.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -61.73 -22.1 73.63 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.612 2.875 . . . . 0.0 112.787 177.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -81.09 -31.27 34.41 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.212 1.005 . . . . 0.0 112.467 178.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -68.28 -49.22 61.97 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.032 1.333 . . . . 0.0 111.251 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 mt -67.05 -46.34 74.65 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 125.987 1.715 . . . . 0.0 110.477 -177.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -59.58 -40.18 86.52 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 118.461 -0.78 . . . . 0.0 112.551 170.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.632 0 CA-C-N 119.963 1.256 . . . . 0.0 112.559 176.706 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.537 0.479 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -170.99 151.4 3.28 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.917 1.687 . . . . 0.0 113.186 -179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -155.17 158.84 39.56 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.045 1.738 . . . . 0.0 111.395 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 55.6 m95 -111.59 146.96 36.45 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.047 1.339 . . . . 0.0 111.127 172.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -137.8 155.16 49.31 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.39 1.476 . . . . 0.0 112.069 -178.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -129.44 152.77 48.62 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.838 1.655 . . . . 0.0 111.47 174.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -73.16 103.47 3.91 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 122.033 -0.417 . . . . 0.0 110.234 172.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -89.48 178.57 44.42 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 124.642 1.115 . . . . 0.0 112.236 170.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.3 ttm-85 -67.7 -29.08 68.24 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -172.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -106.27 -6.36 18.48 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.281 1.432 . . . . 0.0 114.475 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.0 -173.51 29.69 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 126.275 1.893 . . . . 0.0 112.665 179.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -63.02 129.65 41.29 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 122.145 -0.621 . . . . 0.0 111.868 171.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -127.87 144.42 51.09 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.398 1.079 . . . . 0.0 111.648 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -80.24 141.75 35.28 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.755 0.822 . . . . 0.0 111.22 -173.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -68.83 158.82 33.67 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 172.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -64.96 149.11 50.32 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.65 1.18 . . . . 0.0 111.767 170.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -69.01 -17.95 63.98 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.787 1.235 . . . . 0.0 113.424 -173.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 -95.14 -11.79 27.55 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.306 1.042 . . . . 0.0 111.777 175.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.5 m -95.04 -53.97 3.62 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.768 1.227 . . . . 0.0 110.794 173.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.5 p -59.25 -29.94 67.91 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -177.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -30.0 71.14 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 122.864 0.466 . . . . 0.0 112.255 175.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -70.44 -36.56 74.02 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.049 0.84 . . . . 0.0 110.116 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.7 mt -75.25 -40.32 59.06 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.171 1.788 . . . . 0.0 111.076 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -64.17 -44.18 92.85 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.008 0.923 . . . . 0.0 112.488 171.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -67.47 -36.56 81.38 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.563 0.697 . . . . 0.0 110.151 -175.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.87 -49.44 77.45 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.286 1.435 . . . . 0.0 113.842 175.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -66.17 -24.31 66.62 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.896 1.225 . . . . 0.0 111.82 174.247 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.8 t -80.82 -24.45 38.47 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.755 1.222 . . . . 0.0 113.585 177.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -81.69 -42.51 19.8 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.21 1.404 . . . . 0.0 112.088 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.48 -7.61 9.02 Favored Glycine 0 C--N 1.34 0.791 0 C-N-CA 124.776 1.179 . . . . 0.0 114.229 -176.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -65.61 155.4 35.94 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.169 1.484 . . . . 0.0 111.957 169.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.5 pttp -104.03 0.33 29.71 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.801 1.24 . . . . 0.0 113.284 -177.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -169.93 152.96 4.56 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 126.134 1.773 . . . . 0.0 110.664 177.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.9 t -148.56 176.05 10.65 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.505 1.522 . . . . 0.0 111.39 -175.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -121.35 145.76 47.56 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.318 1.447 . . . . 0.0 111.9 -172.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -153.59 155.31 35.87 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.176 1.39 . . . . 0.0 112.263 -177.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.55 143.28 33.93 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.997 1.719 . . . . 0.0 110.306 178.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.48 -153.07 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.011 1.324 . . . . 0.0 112.044 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.17 -17.26 17.48 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 115.61 1.708 . . . . 0.0 115.61 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.54 17.31 0.03 OUTLIER Glycine 0 CA--C 1.535 1.292 0 N-CA-C 116.351 1.3 . . . . 0.0 116.351 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -151.32 150.96 31.12 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.695 1.248 . . . . 0.0 112.559 -169.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.03 125.5 35.84 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.708 1.203 . . . . 0.0 107.947 169.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -119.58 137.4 53.87 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.779 1.232 . . . . 0.0 111.98 173.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 43.1 t -89.06 111.2 22.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 C-N-CA 125.72 1.608 . . . . 0.0 108.047 173.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.71 104.48 10.33 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.72 1.208 . . . . 0.0 110.336 173.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -81.46 110.61 17.02 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.666 1.586 . . . . 0.0 109.341 176.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 76.1 mt -81.16 -9.12 59.85 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.932 0.893 . . . . 0.0 112.49 -178.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -86.95 -51.03 6.27 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.475 1.11 . . . . 0.0 111.282 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -97.1 -9.6 27.68 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.773 2.029 . . . . 0.0 111.764 -174.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.9 mmt 59.98 59.14 2.51 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.93 2.092 . . . . 0.0 112.167 -178.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 16.7 m -145.19 158.48 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -175.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -116.61 134.71 54.5 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 127.056 2.142 . . . . 0.0 110.7 177.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -154.44 156.92 37.64 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.686 1.594 . . . . 0.0 111.952 176.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 79.1 mtt85 -72.1 152.66 42.2 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 121.119 -0.988 . . . . 0.0 110.76 173.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.8 mtp-105 -57.18 -21.65 34.71 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 -172.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -98.09 -4.11 36.51 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.595 1.558 . . . . 0.0 114.799 -177.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -137.36 163.56 30.71 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.712 1.142 . . . . 0.0 113.511 -172.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 27.1 p80 -138.76 -23.62 0.94 Allowed 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 173.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -75.6 -15.87 80.99 Favored Glycine 0 N--CA 1.477 1.385 0 C-N-CA 124.385 0.993 . . . . 0.0 114.706 -175.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -94.92 6.71 48.26 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.698 1.599 . . . . 0.0 112.716 177.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -56.51 138.81 51.13 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.634 1.174 . . . . 0.0 113.652 -172.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -126.25 137.16 53.49 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.668 1.587 . . . . 0.0 111.54 -171.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt -71.05 143.41 50.73 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 115.386 1.625 . . . . 0.0 115.386 -169.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 31.3 pt -132.93 173.04 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 127.087 2.155 . . . . 0.0 110.584 171.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.0 pttt -155.39 165.4 36.73 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.422 1.489 . . . . 0.0 112.265 174.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 46.1 mtm105 -102.14 146.06 28.48 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.258 1.423 . . . . 0.0 108.729 167.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.14 179.66 7.46 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.274 1.429 . . . . 0.0 111.608 178.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.8 mm -133.73 137.16 53.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 125.349 1.46 . . . . 0.0 110.358 -170.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.3 mp -89.42 143.26 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.241 1.016 . . . . 0.0 110.85 173.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -96.72 -28.51 14.26 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.9 mm . . . . . 0 N--CA 1.486 1.354 0 C-N-CA 129.07 2.948 . . . . 0.0 112.212 178.395 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo . . . . . 0 CA--C 1.538 0.698 0 N-CA-C 113.393 0.497 . . . . 0.0 113.393 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.0 p -166.67 165.23 16.66 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.566 1.546 . . . . 0.0 111.466 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.8 t -160.88 151.73 18.52 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.551 1.14 . . . . 0.0 111.725 -178.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.12 -17.71 68.26 Favored Glycine 0 CA--C 1.534 1.27 0 O-C-N 121.634 -0.666 . . . . 0.0 112.884 169.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.9 m -79.98 -6.3 57.29 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.474 1.11 . . . . 0.0 113.319 173.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.4 m -79.42 -3.79 48.11 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.802 -1.186 . . . . 0.0 113.734 177.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.83 173.21 21.65 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 125.922 1.725 . . . . 0.0 113.702 176.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -77.74 167.79 20.98 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.842 1.257 . . . . 0.0 112.451 176.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.7 tp -145.15 140.57 28.06 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.775 1.63 . . . . 0.0 110.188 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -103.54 153.87 20.09 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.33 1.452 . . . . 0.0 112.629 -176.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -60.94 159.08 29.43 Favored Pre-proline 0 CA--C 1.552 1.049 0 C-N-CA 125.295 1.438 . . . . 0.0 113.124 169.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.61 169.19 17.91 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 123.645 2.896 . . . . 0.0 112.566 -174.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.0 t -171.49 -178.05 2.21 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.658 1.983 . . . . 0.0 110.488 -168.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 mt -105.45 -14.18 15.4 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 127.171 2.188 . . . . 0.0 110.756 173.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.0 mt -80.27 -169.78 2.23 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.504 1.521 . . . . 0.0 112.849 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 m -114.47 159.5 36.61 Favored Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 127.561 2.344 . . . . 0.0 111.394 -176.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -60.45 -26.78 83.54 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.978 3.119 . . . . 0.0 112.986 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -83.85 -11.74 56.55 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -87.36 -51.2 6.08 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.617 1.167 . . . . 0.0 111.249 176.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.1 mt -58.43 -49.61 76.67 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.836 1.654 . . . . 0.0 111.037 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -58.75 -40.6 84.3 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.162 173.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.91 -36.41 72.69 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.088 0.858 . . . . 0.0 112.874 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.21 -30.91 70.72 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.317 1.047 . . . . 0.0 112.874 174.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.2 t -86.54 -58.23 2.69 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.071 0.948 . . . . 0.0 112.139 177.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -68.66 -15.12 63.42 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.47 1.508 . . . . 0.0 114.446 -175.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.26 -17.03 71.8 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 124.889 1.233 . . . . 0.0 114.069 173.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -132.84 -45.81 0.87 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.483 1.113 . . . . 0.0 113.587 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.39 9.19 85.25 Favored Glycine 0 N--CA 1.476 1.362 0 C-N-CA 124.198 0.904 . . . . 0.0 113.551 -178.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.06 -177.66 6.34 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.747 2.019 . . . . 0.0 111.481 174.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -170.21 150.1 3.59 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.212 1.405 . . . . 0.0 113.727 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -152.2 156.58 40.05 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.748 1.619 . . . . 0.0 110.75 176.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -115.06 148.55 38.75 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.568 1.147 . . . . 0.0 110.369 172.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -138.74 159.67 41.55 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.972 1.309 . . . . 0.0 111.953 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -140.02 149.11 42.79 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.734 1.614 . . . . 0.0 111.128 174.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -79.35 113.21 17.31 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.618 -0.676 . . . . 0.0 111.789 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -97.37 -164.16 31.98 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 124.863 1.221 . . . . 0.0 111.774 168.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 67.1 ttt-85 -58.27 -43.74 88.09 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.451 1.1 . . . . 0.0 113.23 -177.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -105.45 -4.36 21.45 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 -169.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 148.4 -164.56 29.03 Favored Glycine 0 N--CA 1.472 1.036 0 C-N-CA 125.664 1.602 . . . . 0.0 113.238 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -68.73 131.5 45.28 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.076 0.951 . . . . 0.0 111.819 172.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -128.75 141.71 51.23 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.138 1.375 . . . . 0.0 110.974 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -81.4 141.78 33.62 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.037 0.935 . . . . 0.0 111.93 -169.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -69.24 160.14 31.73 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.061 0.945 . . . . 0.0 113.013 169.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.11 148.96 51.03 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.516 0.726 . . . . 0.0 110.59 169.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -64.63 -20.89 66.55 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.27 -39.48 94.71 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.745 1.618 . . . . 0.0 111.811 169.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.4 m -95.51 -49.19 5.52 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 127.216 2.206 . . . . 0.0 112.698 -170.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.6 p -61.86 -30.04 70.59 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -174.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -26.22 68.36 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.53 0.732 . . . . 0.0 112.934 173.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -76.08 -39.9 54.33 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.698 0.681 . . . . 0.0 109.847 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.9 mt -66.69 -44.28 82.16 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.628 1.571 . . . . 0.0 110.731 176.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -63.48 -30.22 71.37 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.122 1.369 . . . . 0.0 112.883 175.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -80.76 -28.54 36.39 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.063 -1.023 . . . . 0.0 111.476 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.17 -46.08 75.05 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -173.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -70.85 -19.57 62.63 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.659 0.663 . . . . 0.0 111.84 174.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.4 t -81.67 -31.83 32.07 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.885 1.274 . . . . 0.0 112.373 175.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -73.01 -42.49 63.16 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.093 1.357 . . . . 0.0 111.602 173.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.01 -6.85 9.4 Favored Glycine 0 C--N 1.341 0.827 0 C-N-CA 125.1 1.333 . . . . 0.0 114.091 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.18 153.29 42.82 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.197 1.499 . . . . 0.0 112.759 175.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -96.21 -6.83 37.24 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.317 1.447 . . . . 0.0 113.285 -176.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -166.45 142.02 4.58 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.659 1.984 . . . . 0.0 110.038 178.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.8 t -128.29 -179.97 5.3 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.104 1.361 . . . . 0.0 111.533 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -130.6 146.7 52.16 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 126.128 1.771 . . . . 0.0 111.42 -173.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.3 ptt? -151.31 146.59 26.13 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.872 1.269 . . . . 0.0 112.103 -174.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.95 142.13 33.71 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.697 1.599 . . . . 0.0 109.877 176.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.18 -151.62 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.901 1.28 . . . . 0.0 111.862 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.02 -17.88 29.33 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.91 17.39 0.03 OUTLIER Glycine 0 CA--C 1.533 1.2 0 N-CA-C 116.406 1.322 . . . . 0.0 116.406 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -150.45 152.03 33.65 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.708 1.254 . . . . 0.0 112.155 -170.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.72 124.38 37.68 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 169.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -113.36 130.88 56.17 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.799 1.24 . . . . 0.0 111.224 171.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.8 t -86.56 118.8 33.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 C-N-CA 125.38 1.472 . . . . 0.0 107.056 171.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.66 108.87 21.19 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.929 1.292 . . . . 0.0 109.165 175.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -85.74 119.82 26.49 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 125.043 1.337 . . . . 0.0 110.268 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.2 mp -86.28 -18.98 30.6 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.801 1.24 . . . . 0.0 112.315 -175.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -73.83 -47.54 37.73 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.382 1.073 . . . . 0.0 112.072 -177.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -98.68 -9.5 24.55 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.494 1.517 . . . . 0.0 111.767 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 56.21 70.15 0.67 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.566 1.946 . . . . 0.0 110.839 -173.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.6 m -143.57 168.71 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 125.179 1.392 . . . . 0.0 111.529 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -126.07 153.06 44.99 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.654 1.581 . . . . 0.0 111.07 171.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -162.47 160.78 26.64 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.927 1.691 . . . . 0.0 112.304 175.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -73.5 147.59 43.92 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.227 -0.921 . . . . 0.0 111.112 171.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 72.3 mtp85 -51.34 -33.58 29.99 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -176.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -85.29 -9.77 57.29 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 113.944 1.091 . . . . 0.0 113.944 -178.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -102.58 121.82 43.16 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.221 1.409 . . . . 0.0 111.122 -174.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -93.78 -33.35 13.62 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.727 1.211 . . . . 0.0 113.709 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -96.81 -65.73 0.92 Allowed Glycine 0 N--CA 1.468 0.831 0 C-N-CA 125.197 1.379 . . . . 0.0 113.152 -172.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -68.21 128.45 36.61 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.927 0.891 . . . . 0.0 110.995 -171.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 32.4 ptt-85 -155.67 150.28 26.13 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.105 1.362 . . . . 0.0 111.733 -170.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 45.2 ttm105 -117.36 138.84 51.53 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 126.197 1.799 . . . . 0.0 109.735 -176.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -69.04 139.85 54.91 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -175.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.4 pt -126.41 168.28 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.287 1.435 . . . . 0.0 110.66 169.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -156.53 165.85 35.11 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.906 1.282 . . . . 0.0 113.228 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.2 mtp-105 -100.55 151.3 21.75 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.996 1.319 . . . . 0.0 109.104 165.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.87 -178.86 7.0 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.521 1.529 . . . . 0.0 111.235 174.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.2 mm -133.31 138.71 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 125.714 1.606 . . . . 0.0 109.506 -172.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.2 mp -86.17 140.43 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.746 0.818 . . . . 0.0 111.111 175.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -99.62 -16.59 18.17 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 -176.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 25.8 mm 75.61 127.51 0.03 OUTLIER Pre-proline 0 N--CA 1.484 1.263 0 C-N-CA 129.279 3.032 . . . . 0.0 112.157 176.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -78.98 167.17 22.38 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 124.013 3.142 . . . . 0.0 112.018 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -59.68 -24.43 63.92 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 175.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -58.02 -18.08 21.78 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.798 1.639 . . . . 0.0 113.684 173.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -74.41 -8.83 80.97 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.468 1.509 . . . . 0.0 115.157 172.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.7 t -115.16 132.36 64.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 126.228 1.811 . . . . 0.0 109.016 176.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 78.1 p -162.37 163.18 27.99 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.083 1.353 . . . . 0.0 112.305 -176.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -86.44 -174.82 49.55 Favored Glycine 0 CA--C 1.543 1.803 0 C-N-CA 124.745 1.164 . . . . 0.0 114.143 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -58.17 156.24 30.73 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 124.638 3.559 . . . . 0.0 113.469 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.1 m -65.91 -8.37 21.96 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -176.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.6 p -86.48 -7.0 58.77 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.715 1.606 . . . . 0.0 114.073 175.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.179 0 CA-C-O 118.262 -1.299 . . . . 0.0 113.476 179.172 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo . . . . . 0 CA--C 1.539 0.773 0 N-CA-C 113.519 0.546 . . . . 0.0 113.519 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 t -164.28 154.07 14.21 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.222 1.409 . . . . 0.0 111.093 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.3 p -81.11 -12.95 59.14 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.571 1.148 . . . . 0.0 113.209 171.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.64 7.06 88.29 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 125.048 1.308 . . . . 0.0 115.313 174.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -162.36 173.17 14.49 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.034 1.417 . . . . 0.0 112.228 -176.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.6 t -165.04 151.2 10.08 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.117 1.767 . . . . 0.0 111.055 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.86 -143.28 30.89 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.31 0.957 . . . . 0.0 112.967 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -130.57 159.14 38.03 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.136 1.775 . . . . 0.0 111.608 -177.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.4 tp -71.34 137.06 48.15 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.781 1.233 . . . . 0.0 111.777 -177.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -152.14 170.56 19.66 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.495 1.918 . . . . 0.0 110.282 177.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -126.77 160.23 59.87 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 126.209 1.804 . . . . 0.0 113.388 -171.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -70.83 167.6 25.37 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 123.753 2.969 . . . . 0.0 112.002 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.2 t -176.11 178.85 1.36 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.536 1.934 . . . . 0.0 111.01 -167.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mt -107.3 -19.07 13.7 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.126 2.171 . . . . 0.0 111.496 177.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.9 mt -79.71 -177.97 6.15 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.827 1.251 . . . . 0.0 113.179 -176.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.8 m -95.19 157.93 35.61 Favored Pre-proline 0 CA--C 1.542 0.673 0 C-N-CA 126.406 1.883 . . . . 0.0 112.267 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -61.5 -23.86 77.3 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 124.111 3.207 . . . . 0.0 113.29 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -86.77 -11.34 51.31 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.511 1.124 . . . . 0.0 113.718 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -86.31 -51.41 6.26 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.604 1.162 . . . . 0.0 111.121 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 mt -62.13 -48.07 81.75 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.871 1.668 . . . . 0.0 110.877 -176.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -65.4 -31.19 72.16 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 176.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.8 -35.21 64.88 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.049 0.841 . . . . 0.0 112.907 174.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.77 -36.5 83.28 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.752 0.821 . . . . 0.0 112.166 172.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -74.3 -52.97 10.69 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.003 0.921 . . . . 0.0 112.022 176.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -66.85 -32.07 73.09 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.912 1.285 . . . . 0.0 113.277 -178.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.72 -21.45 76.46 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 125.183 1.373 . . . . 0.0 113.343 177.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -90.11 -62.73 1.4 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.187 0.995 . . . . 0.0 110.286 168.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.45 3.88 90.54 Favored Glycine 0 N--CA 1.474 1.212 0 C-N-CA 124.306 0.955 . . . . 0.0 113.918 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.09 -177.89 4.73 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.673 1.589 . . . . 0.0 111.532 170.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -172.69 148.74 1.95 Allowed 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.19 1.396 . . . . 0.0 112.471 -175.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -155.17 151.17 27.88 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.013 1.325 . . . . 0.0 111.695 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 49.7 m95 -108.28 147.81 30.91 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.845 1.258 . . . . 0.0 109.697 169.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -136.63 161.33 36.2 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.879 1.272 . . . . 0.0 111.869 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -139.82 149.16 43.15 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.226 1.81 . . . . 0.0 111.021 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -77.12 133.6 38.95 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.483 0.658 . . . . 0.0 111.906 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -129.55 -168.16 12.27 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 126.369 1.938 . . . . 0.0 112.153 168.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -53.57 -42.67 67.8 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.306 1.442 . . . . 0.0 114.132 -171.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -106.51 -2.85 21.5 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 -172.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 146.15 -160.97 28.27 Favored Glycine 0 N--CA 1.471 1.023 0 C-N-CA 125.826 1.679 . . . . 0.0 113.203 178.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 93.9 m95 -70.51 136.47 49.41 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.044 0.938 . . . . 0.0 111.968 171.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -131.06 143.32 50.6 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.814 1.646 . . . . 0.0 110.481 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -86.07 141.87 29.13 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.59 0.756 . . . . 0.0 111.785 -169.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -69.25 154.34 42.21 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.65 0.78 . . . . 0.0 112.646 169.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -75.55 156.57 34.91 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.331 0.652 . . . . 0.0 110.855 170.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.94 -19.77 65.0 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -176.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -67.81 -33.93 75.76 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.812 0.845 . . . . 0.0 111.746 170.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.0 m -95.52 -50.19 5.08 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.987 2.115 . . . . 0.0 112.625 -170.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.4 p -63.12 -26.61 68.9 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -29.15 70.51 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 118.648 -0.691 . . . . 0.0 112.361 172.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -69.29 -39.17 78.49 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.429 1.013 . . . . 0.0 110.023 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.6 mt -69.9 -42.76 72.94 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.923 1.689 . . . . 0.0 111.0 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.45 -36.05 82.92 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.21 1.004 . . . . 0.0 112.908 172.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -74.27 -37.46 63.7 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 120.61 -1.306 . . . . 0.0 110.693 -177.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.34 -50.2 72.57 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.514 1.526 . . . . 0.0 114.431 -176.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.97 -24.47 66.06 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.895 0.77 . . . . 0.0 111.267 176.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.4 t -78.46 -32.83 48.6 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.673 1.189 . . . . 0.0 112.587 176.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -72.42 -41.99 65.59 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.983 1.313 . . . . 0.0 111.614 174.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.7 -7.1 8.96 Favored Glycine 0 C--N 1.34 0.8 0 C-N-CA 125.087 1.327 . . . . 0.0 113.968 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -65.67 150.36 48.61 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.116 1.458 . . . . 0.0 112.381 173.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -96.02 -3.94 44.01 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.246 1.419 . . . . 0.0 113.214 -176.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -166.89 141.28 3.96 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 126.502 1.921 . . . . 0.0 109.783 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 t -130.93 179.56 5.91 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.436 1.095 . . . . 0.0 112.356 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -127.87 146.69 50.54 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.77 1.628 . . . . 0.0 111.621 -170.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -154.87 147.61 24.38 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.842 1.257 . . . . 0.0 112.377 -173.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.8 144.01 31.69 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.917 1.687 . . . . 0.0 110.308 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.92 -150.72 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.171 1.389 . . . . 0.0 112.031 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.96 -17.33 23.67 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.78 13.45 0.03 OUTLIER Glycine 0 CA--C 1.534 1.254 0 N-CA-C 116.576 1.39 . . . . 0.0 116.576 178.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -147.46 157.47 43.59 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.999 1.4 . . . . 0.0 112.09 -169.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.29 124.62 43.01 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.769 1.227 . . . . 0.0 107.975 173.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -110.43 130.57 55.53 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 124.481 1.112 . . . . 0.0 111.631 170.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.2 t -88.09 115.9 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 C-N-CA 125.532 1.533 . . . . 0.0 106.87 169.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.57 113.15 24.81 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.219 1.408 . . . . 0.0 109.518 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -89.08 119.6 29.73 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.309 1.444 . . . . 0.0 110.6 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.6 mp -85.32 -9.38 57.72 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.727 1.611 . . . . 0.0 112.867 -173.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -93.86 -47.79 6.58 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.426 1.09 . . . . 0.0 111.666 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -88.22 -12.42 43.83 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.741 1.616 . . . . 0.0 112.093 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.0 mmt 55.53 59.42 3.9 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.506 1.922 . . . . 0.0 111.617 -174.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.8 m -139.54 163.37 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 124.548 1.139 . . . . 0.0 111.55 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -124.3 147.8 47.88 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.369 1.468 . . . . 0.0 111.13 171.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -157.04 161.54 39.52 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.737 1.615 . . . . 0.0 112.108 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -77.38 149.68 35.17 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.895 0.878 . . . . 0.0 110.502 175.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 69.3 mtp85 -53.01 -30.7 36.88 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 -171.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -92.81 -4.21 53.4 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -103.83 154.16 19.92 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.938 1.695 . . . . 0.0 112.058 -173.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -135.98 -32.94 0.86 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.773 1.629 . . . . 0.0 113.514 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.8 -57.21 1.64 Allowed Glycine 0 N--CA 1.47 0.938 0 C-N-CA 124.922 1.248 . . . . 0.0 112.322 -175.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -67.83 111.89 4.57 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.23 1.012 . . . . 0.0 109.712 174.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -151.46 143.31 23.79 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.73 1.612 . . . . 0.0 110.893 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -112.67 136.78 51.85 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.322 1.449 . . . . 0.0 109.568 -176.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -63.09 145.79 54.69 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.108 0.963 . . . . 0.0 113.201 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.3 pt -124.53 169.29 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.52 1.528 . . . . 0.0 110.01 168.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.7 pttt -155.24 167.79 29.2 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.864 1.266 . . . . 0.0 112.413 174.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -113.34 145.31 41.3 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.992 1.717 . . . . 0.0 109.766 169.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.79 178.5 9.58 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.006 1.323 . . . . 0.0 112.327 -177.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.6 mm -129.76 138.64 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 126.082 1.753 . . . . 0.0 109.86 -176.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.3 mp -88.61 140.76 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.763 0.825 . . . . 0.0 110.823 173.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -103.32 -16.0 15.78 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.9 mm 74.3 128.63 0.03 OUTLIER Pre-proline 0 N--CA 1.487 1.398 0 C-N-CA 128.847 2.859 . . . . 0.0 112.904 171.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -80.16 167.09 20.1 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 124.182 3.255 . . . . 0.0 111.743 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -60.39 -28.32 68.13 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 174.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -59.41 -19.22 45.48 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.597 1.559 . . . . 0.0 113.66 173.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -82.31 -8.86 85.78 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.477 1.513 . . . . 0.0 115.259 175.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.8 t -81.25 115.23 23.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 118.557 1.178 . . . . 0.0 109.211 177.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 64.3 m -155.08 157.3 37.31 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.741 1.616 . . . . 0.0 111.503 -173.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -77.28 165.24 53.04 Favored Glycine 0 CA--C 1.541 1.679 0 C-N-CA 124.08 0.848 . . . . 0.0 113.266 175.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -74.77 155.92 44.06 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.934 3.09 . . . . 0.0 111.917 -178.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 51.5 p -75.99 -3.55 36.32 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.559 1.144 . . . . 0.0 114.068 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 55.4 p -85.05 -6.29 59.32 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.614 1.565 . . . . 0.0 114.123 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.148 0 CA-C-O 118.185 -1.342 . . . . 0.0 113.315 178.65 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo . . . . . 0 CA--C 1.539 0.743 0 N-CA-C 113.432 0.512 . . . . 0.0 113.432 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 m -160.88 149.09 16.03 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.128 1.771 . . . . 0.0 110.62 178.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.5 p -165.93 166.88 17.15 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.28 1.432 . . . . 0.0 111.83 -175.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.37 -159.2 35.02 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 124.489 1.042 . . . . 0.0 113.433 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.3 m -66.75 147.69 52.91 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.728 1.211 . . . . 0.0 113.536 -176.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.4 p -80.67 -16.98 52.61 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.04 168.39 40.95 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 125.163 1.364 . . . . 0.0 113.589 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -70.87 155.39 40.86 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.55 1.14 . . . . 0.0 112.161 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.4 tp -67.18 132.8 48.53 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.615 1.166 . . . . 0.0 112.05 -176.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -92.47 139.72 30.3 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.96 1.304 . . . . 0.0 110.642 169.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -135.93 158.05 74.7 Favored Pre-proline 0 CA--C 1.549 0.921 0 C-N-CA 125.758 1.623 . . . . 0.0 112.493 -175.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -73.97 173.08 14.65 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 124.013 3.142 . . . . 0.0 112.599 -175.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.1 t -165.04 166.76 18.99 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.494 1.917 . . . . 0.0 111.368 -173.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp -105.72 -3.83 21.65 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.099 1.76 . . . . 0.0 111.767 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.4 mt -92.32 -174.0 3.58 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.159 1.384 . . . . 0.0 112.487 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 m -103.93 158.87 30.99 Favored Pre-proline 0 CA--C 1.54 0.596 0 C-N-CA 126.837 2.055 . . . . 0.0 111.94 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -60.87 -25.23 80.94 Favored 'Trans proline' 0 CA--C 1.534 0.506 0 C-N-CA 123.983 3.122 . . . . 0.0 113.022 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -85.5 -11.05 55.17 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 176.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -86.95 -51.67 5.9 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.742 1.217 . . . . 0.0 110.997 174.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 mt -61.91 -47.83 83.18 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.859 1.663 . . . . 0.0 110.886 -176.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -62.77 -36.76 84.12 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 173.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.73 -30.84 67.49 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.34 -30.93 70.82 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 173.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.0 t -89.07 -51.35 5.64 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.655 0.782 . . . . 0.0 111.672 177.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -63.52 -30.17 71.33 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.04 1.336 . . . . 0.0 113.382 -178.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.61 -16.21 73.85 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.341 1.448 . . . . 0.0 113.939 176.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -100.25 -66.67 0.89 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.448 1.099 . . . . 0.0 110.796 169.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.66 7.35 87.25 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.03 0.824 . . . . 0.0 113.924 175.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.03 -176.76 4.69 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.153 1.781 . . . . 0.0 111.352 172.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -171.65 151.17 2.86 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.476 1.511 . . . . 0.0 111.899 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -151.13 147.36 26.96 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.504 1.522 . . . . 0.0 110.167 176.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 37.8 m95 -107.83 147.55 30.74 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.441 1.096 . . . . 0.0 110.429 174.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -138.81 154.83 48.5 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.833 1.253 . . . . 0.0 111.588 -178.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -135.46 148.84 49.4 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.075 1.35 . . . . 0.0 111.165 172.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -78.09 103.16 7.85 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 118.136 0.425 . . . . 0.0 110.075 173.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.48 -136.81 9.51 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 125.316 1.436 . . . . 0.0 112.846 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -58.53 -31.51 67.99 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 -172.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -144.74 -10.73 0.6 Allowed 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -173.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 166.53 -161.49 35.21 Favored Glycine 0 N--CA 1.471 0.98 0 C-N-CA 124.969 1.271 . . . . 0.0 112.596 -176.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -67.56 124.95 24.67 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.107 0.963 . . . . 0.0 112.049 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -124.73 137.36 54.34 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 125.212 1.405 . . . . 0.0 110.101 174.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -79.94 137.47 36.88 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.671 0.788 . . . . 0.0 111.011 -172.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -68.81 158.34 34.61 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.0 0.92 . . . . 0.0 112.796 170.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -74.15 161.24 30.18 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.46 0.704 . . . . 0.0 111.279 174.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -70.17 -19.52 63.19 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.135 0.974 . . . . 0.0 113.277 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -70.23 -37.66 75.04 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.846 0.858 . . . . 0.0 111.685 171.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 50.4 m -93.9 -50.11 5.49 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.289 1.835 . . . . 0.0 112.715 -169.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.1 p -61.81 -29.57 70.24 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -175.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -28.89 70.36 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 118.847 -0.597 . . . . 0.0 112.271 173.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -71.16 -38.43 72.19 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.342 0.974 . . . . 0.0 110.144 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.7 mt -68.66 -43.59 75.87 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.823 1.649 . . . . 0.0 110.812 178.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -65.19 -33.51 76.17 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.199 1.4 . . . . 0.0 113.09 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -81.05 -34.07 33.05 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.123 -0.986 . . . . 0.0 111.469 -177.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.13 -50.09 74.7 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.103 1.361 . . . . 0.0 114.008 -176.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -68.69 -22.47 64.36 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 118.946 0.794 . . . . 0.0 112.476 175.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 t -78.95 -28.74 43.72 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.534 1.133 . . . . 0.0 112.428 175.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -77.33 -42.17 37.71 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.02 1.328 . . . . 0.0 111.961 174.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.73 -7.63 8.3 Favored Glycine 0 N--CA 1.469 0.895 0 C-N-CA 125.062 1.315 . . . . 0.0 114.129 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -66.0 150.85 48.02 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 118.95 1.375 . . . . 0.0 112.27 171.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -98.47 0.22 44.73 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.931 1.292 . . . . 0.0 113.556 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -170.51 152.29 3.89 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.721 2.008 . . . . 0.0 109.774 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 t -143.75 172.45 12.81 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.368 1.467 . . . . 0.0 111.153 -175.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -121.96 145.49 48.07 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.068 1.347 . . . . 0.0 111.519 -172.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.5 ptt? -151.18 147.96 27.66 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.04 1.336 . . . . 0.0 111.903 -173.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.05 141.35 36.36 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 125.716 1.607 . . . . 0.0 109.825 177.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -119.2 -152.26 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.691 1.196 . . . . 0.0 111.779 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.76 -15.78 22.76 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 115.594 1.702 . . . . 0.0 115.594 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.73 14.82 0.03 OUTLIER Glycine 0 CA--C 1.533 1.195 0 N-CA-C 116.747 1.459 . . . . 0.0 116.747 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -149.53 152.38 35.47 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.869 1.334 . . . . 0.0 112.179 -169.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.49 125.42 36.22 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.55 1.14 . . . . 0.0 108.335 169.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -117.52 138.19 52.06 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.476 1.111 . . . . 0.0 111.603 170.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.6 t -92.97 122.48 44.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 126.03 1.732 . . . . 0.0 107.174 173.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.86 119.06 38.13 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.163 1.385 . . . . 0.0 109.692 175.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -103.17 117.44 34.53 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.333 1.853 . . . . 0.0 111.139 -173.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.5 mt -77.24 -20.99 54.46 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.46 1.504 . . . . 0.0 113.05 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -67.1 -51.08 58.66 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.969 0.804 . . . . 0.0 112.391 -178.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -102.01 -8.81 21.16 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.979 1.712 . . . . 0.0 111.972 -176.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 56.32 63.33 2.02 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.847 2.059 . . . . 0.0 111.472 -171.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 26.7 m -139.42 171.59 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 C-N-CA 124.604 1.162 . . . . 0.0 111.317 178.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.451 ' NE2' HN61 ' A' ' 201' ' ' ATP . 2.0 pp0? -144.28 141.7 29.98 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.092 0.957 . . . . 0.0 111.694 174.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -157.26 167.18 31.07 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.945 1.698 . . . . 0.0 113.983 -169.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -72.03 143.97 48.95 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 121.234 -0.916 . . . . 0.0 111.679 170.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 72.5 mtp85 -47.37 -38.2 12.63 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.175 1.39 . . . . 0.0 114.63 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -99.15 -8.44 25.14 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -178.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -122.48 78.59 1.53 Allowed 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 122.422 1.106 . . . . 0.0 111.644 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -66.18 -15.45 63.15 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 115.25 -0.887 . . . . 0.0 112.663 172.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -87.5 -5.78 78.39 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.756 1.646 . . . . 0.0 114.365 174.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -117.8 87.98 2.82 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.865 1.332 . . . . 0.0 109.701 176.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -132.72 149.81 52.24 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 113.911 -1.495 . . . . 0.0 113.271 -169.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -125.13 140.44 52.88 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.665 1.986 . . . . 0.0 109.808 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -62.4 142.81 57.66 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.256 1.022 . . . . 0.0 112.477 175.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.1 pt -125.77 167.21 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.858 1.263 . . . . 0.0 111.083 170.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 43.9 pttt -155.52 167.35 30.67 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.377 1.471 . . . . 0.0 113.228 175.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.2 mtp-105 -105.95 152.07 23.78 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.479 1.512 . . . . 0.0 109.63 166.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.84 177.53 10.02 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.611 1.564 . . . . 0.0 111.138 172.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.8 mm -128.7 137.6 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.125 1.37 . . . . 0.0 110.046 -174.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.4 mp -88.49 141.45 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.066 0.946 . . . . 0.0 111.001 174.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -103.38 -17.17 15.38 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.4 mm 73.22 128.43 0.03 OUTLIER Pre-proline 0 N--CA 1.487 1.424 0 C-N-CA 128.557 2.743 . . . . 0.0 112.95 172.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -79.77 168.02 19.83 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 124.007 3.138 . . . . 0.0 111.538 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -60.01 -33.18 71.64 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 175.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -63.18 -18.86 63.95 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.363 1.465 . . . . 0.0 113.516 173.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.97 -8.51 79.01 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 126.037 1.78 . . . . 0.0 115.085 177.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.7 t -73.38 116.91 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 118.484 1.142 . . . . 0.0 109.133 176.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 50.3 m 71.77 136.74 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 127.915 2.486 . . . . 0.0 113.262 -171.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 169.09 -169.07 41.67 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 124.588 1.09 . . . . 0.0 113.962 -178.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -57.37 147.46 77.37 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 124.592 3.528 . . . . 0.0 113.191 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.7 t -164.23 171.89 14.35 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.318 1.447 . . . . 0.0 111.284 -178.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.0 t -163.42 160.26 23.22 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.788 1.635 . . . . 0.0 111.421 -177.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.238 0 C-N-CA 125.319 1.438 . . . . 0.0 112.854 -178.118 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ATP . . . . . 0.451 HN61 ' NE2' ' A' ' 80' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo . . . . . 0 CA--C 1.541 0.858 0 N-CA-C 113.848 0.672 . . . . 0.0 113.848 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.8 p -165.54 171.09 13.6 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.085 1.354 . . . . 0.0 111.636 -174.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.5 m -140.34 144.17 36.16 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.328 1.451 . . . . 0.0 110.69 178.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.56 50.69 3.86 Favored Glycine 0 N--CA 1.474 1.188 0 C-N-CA 125.235 1.398 . . . . 0.0 114.203 -172.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 m 64.25 18.03 11.06 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.379 1.872 . . . . 0.0 113.781 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 p -81.12 -12.2 59.3 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.426 1.49 . . . . 0.0 114.525 -175.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.33 144.19 17.77 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 125.056 1.313 . . . . 0.0 112.433 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -82.08 174.03 11.6 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.6 1.16 . . . . 0.0 112.427 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.8 tp -148.47 141.49 24.86 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.256 1.423 . . . . 0.0 110.56 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -66.17 151.14 47.59 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.018 1.327 . . . . 0.0 113.041 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -131.83 157.42 78.23 Favored Pre-proline 0 CA--C 1.55 0.962 0 C-N-CA 125.799 1.64 . . . . 0.0 112.598 -175.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -75.08 175.69 10.92 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 124.282 3.322 . . . . 0.0 113.02 -174.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.6 t -157.54 163.79 38.01 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 126.765 2.026 . . . . 0.0 110.918 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp -99.03 -4.74 31.79 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.689 1.596 . . . . 0.0 111.681 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.2 mt -93.74 -174.68 3.52 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.137 1.375 . . . . 0.0 112.587 -176.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 m -104.47 159.14 30.31 Favored Pre-proline 0 CA--C 1.542 0.647 0 C-N-CA 127.106 2.162 . . . . 0.0 111.793 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -61.08 -24.95 80.44 Favored 'Trans proline' 0 CA--C 1.535 0.532 0 C-N-CA 124.014 3.143 . . . . 0.0 113.123 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -86.05 -11.68 52.18 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.561 1.144 . . . . 0.0 113.999 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -85.41 -51.49 6.51 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.461 1.104 . . . . 0.0 111.148 176.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.62 -47.41 85.54 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.768 1.627 . . . . 0.0 110.514 -176.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -61.84 -38.13 87.06 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.36 0.664 . . . . 0.0 112.476 173.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.15 -37.36 72.23 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.064 0.847 . . . . 0.0 112.807 178.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.12 -35.75 77.87 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.21 1.004 . . . . 0.0 112.391 175.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.1 t -79.92 -49.23 12.2 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.786 0.834 . . . . 0.0 112.365 177.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -68.41 -32.76 73.04 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.616 1.166 . . . . 0.0 113.299 -176.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.6 -12.37 81.79 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 125.324 1.44 . . . . 0.0 115.01 -177.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -80.53 -85.1 0.09 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.529 1.132 . . . . 0.0 111.317 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.41 -1.57 57.28 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.691 1.139 . . . . 0.0 115.267 170.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.35 177.8 8.18 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.605 1.203 . . . . 0.0 111.526 169.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -171.15 149.38 2.84 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.213 1.405 . . . . 0.0 114.037 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -153.12 155.67 37.2 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.843 1.657 . . . . 0.0 110.686 177.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.7 m95 -113.54 149.72 34.0 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.29 1.036 . . . . 0.0 110.685 169.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -137.18 160.18 39.74 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.061 1.344 . . . . 0.0 111.804 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -133.57 148.31 51.6 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.928 1.691 . . . . 0.0 111.151 173.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -79.93 112.21 17.0 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.862 -0.524 . . . . 0.0 110.145 175.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -98.21 -161.15 30.47 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.803 1.192 . . . . 0.0 112.021 169.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 67.0 ttt-85 -60.52 -43.76 96.77 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.412 1.085 . . . . 0.0 113.098 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -105.73 -6.26 19.26 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -169.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.1 -161.89 28.83 Favored Glycine 0 N--CA 1.472 1.078 0 C-N-CA 125.665 1.602 . . . . 0.0 113.023 178.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -68.17 133.2 48.51 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.906 0.882 . . . . 0.0 112.344 172.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -130.25 139.7 50.75 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.47 1.508 . . . . 0.0 110.391 176.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -83.57 139.67 32.71 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.616 0.766 . . . . 0.0 111.742 -169.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -71.19 154.43 41.69 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.943 0.897 . . . . 0.0 112.281 169.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -64.99 157.25 28.79 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.298 1.039 . . . . 0.0 112.238 174.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -65.47 -18.9 65.67 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.169 0.987 . . . . 0.0 112.77 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 -90.39 -15.23 31.41 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.773 1.229 . . . . 0.0 112.519 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 77.0 m -105.59 -50.26 3.24 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.787 1.635 . . . . 0.0 111.333 -177.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.7 p -59.41 -29.12 67.51 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -29.29 70.48 Favored 'General case' 0 C--N 1.342 0.251 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 174.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.82 -39.33 69.87 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.023 0.829 . . . . 0.0 109.871 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.7 mt -68.51 -45.17 73.02 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.646 1.579 . . . . 0.0 110.677 178.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.2 tp10 -63.88 -31.72 72.99 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.168 1.387 . . . . 0.0 112.679 176.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -80.64 -38.65 28.8 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.221 1.008 . . . . 0.0 110.932 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.23 -50.08 75.06 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.958 1.303 . . . . 0.0 114.14 -176.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -68.63 -19.55 64.43 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 118.839 0.745 . . . . 0.0 111.957 176.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 t -83.29 -31.11 27.07 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.809 1.244 . . . . 0.0 112.605 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -73.31 -41.82 63.08 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.126 1.37 . . . . 0.0 111.806 175.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.69 -7.46 8.34 Favored Glycine 0 C--N 1.34 0.781 0 C-N-CA 125.044 1.307 . . . . 0.0 114.158 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -65.85 151.13 47.38 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.077 1.438 . . . . 0.0 112.346 172.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -99.16 0.35 43.24 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.264 1.426 . . . . 0.0 113.19 -175.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -171.39 147.09 2.38 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 126.904 2.082 . . . . 0.0 109.551 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.0 t -137.08 174.48 10.57 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.086 0.955 . . . . 0.0 112.441 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -121.16 145.04 48.23 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 126.07 1.748 . . . . 0.0 111.44 -171.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.4 ptt? -153.83 149.27 27.21 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.908 1.283 . . . . 0.0 112.576 -172.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.31 143.42 33.0 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.955 1.702 . . . . 0.0 110.294 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.93 -152.66 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 125.088 1.355 . . . . 0.0 112.003 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.26 -16.09 19.38 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.55 15.35 0.03 OUTLIER Glycine 0 CA--C 1.533 1.196 0 N-CA-C 116.74 1.456 . . . . 0.0 116.74 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -149.74 153.11 36.38 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.801 1.301 . . . . 0.0 112.069 -169.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.54 124.26 38.46 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.428 1.091 . . . . 0.0 108.122 169.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -113.45 134.62 54.56 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.777 1.231 . . . . 0.0 111.463 172.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.6 t -86.19 118.39 32.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 169.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.25 111.45 22.26 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.222 1.009 . . . . 0.0 108.784 170.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -85.88 110.85 19.7 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 125.216 1.406 . . . . 0.0 110.083 176.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.4 mp -83.23 -11.35 57.9 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.076 1.351 . . . . 0.0 112.145 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -70.45 -54.93 10.34 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.126 0.876 . . . . 0.0 111.973 174.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -101.58 -6.08 24.31 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.623 1.569 . . . . 0.0 112.325 -172.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.7 mmt 58.29 61.55 2.26 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.545 1.938 . . . . 0.0 111.24 -173.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.9 m -137.62 172.91 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.326 1.051 . . . . 0.0 110.925 174.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.0 142.85 27.94 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.155 0.982 . . . . 0.0 111.72 176.141 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -155.36 162.75 40.75 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.336 1.454 . . . . 0.0 113.88 -172.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -68.98 141.73 54.84 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.6 1.16 . . . . 0.0 111.249 171.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.6 mtp-105 -54.87 -31.27 59.51 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 114.36 1.245 . . . . 0.0 114.36 -172.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -81.55 -17.17 49.36 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -172.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -156.67 124.55 5.53 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 122.607 1.194 . . . . 0.0 112.871 177.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -76.95 -15.93 59.51 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.531 1.132 . . . . 0.0 114.038 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.55 -22.44 77.28 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 125.343 1.449 . . . . 0.0 113.6 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.6 mmm-85 -88.74 61.31 5.95 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.075 1.35 . . . . 0.0 110.206 175.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 23.0 ptt-85 -111.83 152.47 27.88 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.125 1.37 . . . . 0.0 114.26 -172.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -132.29 143.47 49.91 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 127.271 2.228 . . . . 0.0 109.796 175.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.69 148.55 46.16 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.003 1.321 . . . . 0.0 113.396 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 31.6 pt -131.23 169.92 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.189 1.396 . . . . 0.0 111.337 170.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -158.17 166.16 33.13 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.983 1.313 . . . . 0.0 113.198 174.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.3 mtp-105 -100.8 149.13 24.15 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.185 1.394 . . . . 0.0 108.922 165.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -151.84 -179.89 7.85 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.329 1.451 . . . . 0.0 111.459 174.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.4 mm -132.88 137.17 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 C-N-CA 125.644 1.578 . . . . 0.0 109.735 -171.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.2 mp -87.56 139.86 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.064 0.946 . . . . 0.0 110.891 176.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -103.62 -15.46 15.79 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 -178.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 24.6 mm 75.4 127.73 0.03 OUTLIER Pre-proline 0 N--CA 1.485 1.307 0 C-N-CA 129.278 3.031 . . . . 0.0 111.866 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -76.4 161.17 34.92 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 123.637 2.891 . . . . 0.0 112.451 -177.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -63.16 -20.3 65.27 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -178.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -88.2 -25.9 22.66 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.172 1.389 . . . . 0.0 112.682 172.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -87.08 -36.5 8.96 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 125.313 1.435 . . . . 0.0 113.497 -178.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.1 p -68.86 137.43 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.863 0.865 . . . . 0.0 110.866 175.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.3 t -164.63 164.82 21.41 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.304 1.442 . . . . 0.0 111.283 -177.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -79.37 160.22 45.58 Favored Glycine 0 CA--C 1.543 1.799 0 C-N-CA 124.549 1.071 . . . . 0.0 113.556 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -75.03 159.28 41.42 Favored 'Trans proline' 0 CA--C 1.536 0.6 0 C-N-CA 124.006 3.137 . . . . 0.0 111.752 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.1 m -75.54 -4.45 39.91 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 79.5 p -165.06 163.33 20.61 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.21 1.804 . . . . 0.0 111.858 -175.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.195 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.969 -179.187 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo . . . . . 0 CA--C 1.537 0.629 0 N-CA-C 113.395 0.498 . . . . 0.0 113.395 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 m -78.67 26.16 0.24 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.487 1.515 . . . . 0.0 114.827 -169.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 m 64.29 6.37 2.98 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 126.484 1.914 . . . . 0.0 114.458 173.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.18 20.2 68.92 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.198 0.904 . . . . 0.0 112.899 -169.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 t -153.33 -33.1 0.12 Allowed 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 -169.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -80.45 -14.29 58.41 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 120.684 -1.26 . . . . 0.0 112.005 169.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.24 161.97 35.78 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 126.773 2.13 . . . . 0.0 111.883 175.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -77.97 161.86 27.21 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.172 0.989 . . . . 0.0 112.799 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.6 tp -155.02 135.75 13.57 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.842 1.657 . . . . 0.0 109.952 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -145.44 146.75 31.63 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.104 1.761 . . . . 0.0 110.335 -178.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -134.5 157.34 77.58 Favored Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 125.856 1.662 . . . . 0.0 112.384 -172.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -73.54 169.4 22.4 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 124.093 3.195 . . . . 0.0 113.108 -170.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.2 t -175.23 -176.65 0.95 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 127.988 2.515 . . . . 0.0 110.003 -169.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mt -105.41 -14.43 15.33 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 127.36 2.264 . . . . 0.0 110.657 171.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.2 mt -88.11 -165.73 1.4 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.924 1.69 . . . . 0.0 112.844 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.3 m -114.41 158.35 40.17 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 127.559 2.343 . . . . 0.0 111.369 -177.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -61.24 -24.95 79.88 Favored 'Trans proline' 0 CA--C 1.535 0.57 0 C-N-CA 124.092 3.195 . . . . 0.0 113.216 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -86.82 -11.73 50.05 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.488 1.115 . . . . 0.0 113.96 176.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -85.8 -51.28 6.52 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.394 1.078 . . . . 0.0 111.274 177.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 mt -58.86 -49.67 76.87 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.864 1.665 . . . . 0.0 110.577 -177.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -64.43 -34.06 77.31 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.65 0.78 . . . . 0.0 112.022 177.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.35 -43.35 64.17 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.891 0.769 . . . . 0.0 112.222 176.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.25 -43.6 98.61 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.471 1.108 . . . . 0.0 111.906 175.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.8 t -67.72 -50.05 59.43 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.671 0.788 . . . . 0.0 112.402 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.6 tpt85 -68.71 -27.11 65.65 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.79 -34.33 88.31 Favored Glycine 0 CA--C 1.533 1.156 0 C-N-CA 124.898 1.237 . . . . 0.0 114.295 -173.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -120.31 -40.11 2.72 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 171.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.31 8.99 85.6 Favored Glycine 0 N--CA 1.477 1.4 0 CA-C-N 118.924 0.783 . . . . 0.0 113.628 -176.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.51 -178.47 3.56 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.75 1.62 . . . . 0.0 111.496 170.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -170.8 150.77 3.28 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.384 1.474 . . . . 0.0 112.349 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -152.99 156.73 39.39 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.268 1.427 . . . . 0.0 111.216 176.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -113.59 147.32 38.25 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 124.917 1.287 . . . . 0.0 110.51 172.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -138.2 158.28 44.61 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.976 1.31 . . . . 0.0 112.064 -178.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -140.47 152.87 45.97 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.782 1.633 . . . . 0.0 111.06 175.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -78.87 118.96 21.39 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.639 -0.663 . . . . 0.0 111.748 178.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -106.42 -151.91 19.16 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.767 1.651 . . . . 0.0 112.604 170.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -66.47 -39.07 88.59 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.425 1.09 . . . . 0.0 113.821 -171.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -116.05 -6.67 11.95 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -171.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 155.17 -159.91 29.42 Favored Glycine 0 N--CA 1.472 1.034 0 C-N-CA 125.357 1.456 . . . . 0.0 113.214 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 92.8 m95 -71.06 132.04 44.53 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.17 0.988 . . . . 0.0 111.952 173.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 71.2 m95 -130.61 144.21 51.27 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.213 1.405 . . . . 0.0 110.957 177.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -81.74 142.0 33.04 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.846 0.858 . . . . 0.0 112.3 -169.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -69.28 159.92 32.18 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.1 0.96 . . . . 0.0 113.028 169.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -67.6 149.54 49.96 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.963 0.905 . . . . 0.0 111.736 171.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -67.27 -19.45 65.5 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.759 1.224 . . . . 0.0 113.488 -173.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -93.32 -12.42 30.07 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.019 0.928 . . . . 0.0 111.822 175.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.9 m -96.42 -52.71 3.86 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.297 1.439 . . . . 0.0 111.371 175.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.9 p -58.01 -31.99 67.5 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.108 0.963 . . . . 0.0 113.306 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -25.93 68.39 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.723 0.809 . . . . 0.0 112.728 176.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -76.13 -35.24 59.35 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.571 0.623 . . . . 0.0 110.377 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.8 mt -71.72 -43.13 66.41 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.797 1.639 . . . . 0.0 110.407 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -62.58 -31.23 72.01 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.665 1.586 . . . . 0.0 113.019 173.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -82.32 -26.47 32.99 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.11 -0.994 . . . . 0.0 111.648 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.29 -48.0 77.33 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -174.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -69.28 -21.43 63.88 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.709 -0.62 . . . . 0.0 112.323 174.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.3 t -80.06 -27.14 39.4 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.962 1.305 . . . . 0.0 112.556 174.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -78.32 -36.27 46.59 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.986 1.314 . . . . 0.0 112.235 172.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.23 -7.34 14.49 Favored Glycine 0 C--N 1.342 0.9 0 C-N-CA 125.313 1.435 . . . . 0.0 113.838 178.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.73 155.38 38.25 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 118.973 1.387 . . . . 0.0 112.78 172.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.9 pttt -99.26 -2.53 36.34 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.014 1.326 . . . . 0.0 113.862 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -167.4 151.22 6.5 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 126.024 1.73 . . . . 0.0 110.877 178.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.3 t -144.24 177.22 8.76 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.121 1.768 . . . . 0.0 110.791 -173.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -127.11 146.35 50.41 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 125.654 1.581 . . . . 0.0 111.923 -170.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.0 ptt? -152.83 149.87 28.75 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.286 1.435 . . . . 0.0 112.205 -176.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.96 144.21 31.83 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.9 1.68 . . . . 0.0 110.134 178.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.99 -151.99 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.967 1.307 . . . . 0.0 111.887 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.65 -16.22 24.76 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.92 14.93 0.03 OUTLIER Glycine 0 CA--C 1.533 1.19 0 N-CA-C 116.727 1.451 . . . . 0.0 116.727 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -148.75 154.04 39.02 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.938 1.369 . . . . 0.0 111.989 -170.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.38 124.29 36.32 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.477 1.111 . . . . 0.0 108.301 169.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -112.05 129.87 56.06 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.566 1.146 . . . . 0.0 111.447 170.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 46.4 t -84.66 121.0 36.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 C-N-CA 125.854 1.662 . . . . 0.0 106.852 168.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.74 119.16 37.69 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.91 1.284 . . . . 0.0 109.597 175.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -101.75 119.77 39.31 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.726 1.61 . . . . 0.0 111.145 -174.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.3 mt -77.73 -21.33 52.03 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.055 1.342 . . . . 0.0 113.032 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -66.33 -56.71 9.8 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.987 0.812 . . . . 0.0 111.451 -178.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -100.87 -10.26 20.85 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.92 1.688 . . . . 0.0 112.147 -173.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 57.39 67.65 0.95 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.38 1.872 . . . . 0.0 111.093 -174.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.1 m -140.14 166.3 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 125.746 1.619 . . . . 0.0 111.107 174.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -120.76 149.31 42.74 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.837 1.655 . . . . 0.0 110.251 170.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -163.03 162.24 25.82 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.453 1.501 . . . . 0.0 113.164 176.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.5 mtm-85 -73.3 149.51 42.62 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.032 -1.043 . . . . 0.0 112.076 174.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -56.46 -26.46 53.99 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 175.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -89.57 -11.42 42.79 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -177.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -157.6 123.41 4.67 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.572 1.078 . . . . 0.0 112.835 -174.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 57.3 p-80 -90.7 -17.16 27.25 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.99 1.316 . . . . 0.0 113.27 174.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.59 -18.4 78.54 Favored Glycine 0 N--CA 1.473 1.136 0 C-N-CA 125.709 1.624 . . . . 0.0 113.756 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -109.49 97.93 7.41 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.383 1.473 . . . . 0.0 109.345 169.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -134.03 148.13 51.04 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.511 1.524 . . . . 0.0 112.294 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -123.72 144.71 49.5 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.763 1.625 . . . . 0.0 109.958 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -68.09 140.44 56.24 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.326 1.051 . . . . 0.0 113.083 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.7 pt -128.02 167.56 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.085 1.354 . . . . 0.0 110.81 170.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -155.98 165.85 35.22 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.079 1.352 . . . . 0.0 113.028 175.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.3 mtp-105 -102.45 152.18 21.43 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.162 1.385 . . . . 0.0 109.381 166.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.34 -179.67 7.75 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.402 1.481 . . . . 0.0 111.608 175.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 27.7 mm -130.04 139.18 52.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 126.007 1.723 . . . . 0.0 109.057 -176.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.2 mp -83.37 139.52 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.207 176.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -96.87 -21.91 17.21 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.162 1.385 . . . . 0.0 114.587 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.7 mm 76.45 126.8 0.03 OUTLIER Pre-proline 0 N--CA 1.485 1.277 0 C-N-CA 129.441 3.096 . . . . 0.0 111.793 177.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -79.42 167.22 21.43 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 124.12 3.213 . . . . 0.0 112.115 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -59.83 -26.33 65.71 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 175.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -57.82 -20.52 36.52 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.502 1.521 . . . . 0.0 113.582 173.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.51 -10.69 85.62 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 125.403 1.478 . . . . 0.0 115.339 174.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.9 t -81.41 122.94 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 CA-C-N 118.592 1.196 . . . . 0.0 109.507 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.9 m -162.98 160.49 24.76 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 127.161 2.184 . . . . 0.0 110.429 -178.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.35 149.29 45.29 Favored Glycine 0 CA--C 1.542 1.759 0 CA-C-O 119.019 -0.878 . . . . 0.0 112.786 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -75.07 148.36 34.89 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.687 2.924 . . . . 0.0 111.866 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 54.4 p -90.24 1.23 56.7 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.09 1.356 . . . . 0.0 113.514 176.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.6 m -65.36 140.15 58.63 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.78 1.632 . . . . 0.0 113.395 -177.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 CA-C-O 118.311 -1.272 . . . . 0.0 112.855 177.929 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo . . . . . 0 N--CA 1.48 0.717 0 N-CA-C 113.35 0.481 . . . . 0.0 113.35 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.9 p -164.34 -82.98 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.735 1.214 . . . . 0.0 111.221 -178.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.7 p -84.66 -11.96 54.87 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.151 1.381 . . . . 0.0 113.127 172.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.82 -165.92 31.91 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 126.368 1.937 . . . . 0.0 112.945 176.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.4 m -147.37 147.54 30.4 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.144 1.778 . . . . 0.0 110.787 -177.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 m -131.75 13.7 4.87 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -170.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.44 136.34 14.59 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 124.611 1.1 . . . . 0.0 112.757 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -144.54 167.33 22.79 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.566 1.946 . . . . 0.0 111.471 -177.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.8 tp -154.86 151.16 28.26 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.561 1.545 . . . . 0.0 110.585 -174.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -145.27 170.95 15.28 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.959 1.703 . . . . 0.0 110.996 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -140.78 161.21 55.43 Favored Pre-proline 0 CA--C 1.554 1.097 0 C-N-CA 126.336 1.855 . . . . 0.0 113.331 -168.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -72.19 176.36 8.63 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 124.229 3.286 . . . . 0.0 113.072 -175.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.6 t -159.14 167.46 29.08 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 126.156 1.782 . . . . 0.0 111.697 -173.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp -108.43 -4.53 17.26 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.432 1.893 . . . . 0.0 111.855 -178.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.0 mt -90.35 -175.04 4.36 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.962 1.305 . . . . 0.0 112.571 -176.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.9 m -102.01 158.35 31.95 Favored Pre-proline 0 CA--C 1.541 0.61 0 C-N-CA 126.677 1.991 . . . . 0.0 111.963 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -60.86 -25.05 80.57 Favored 'Trans proline' 0 CA--C 1.534 0.503 0 C-N-CA 123.879 3.053 . . . . 0.0 113.098 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -86.38 -11.38 52.17 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.495 1.118 . . . . 0.0 113.961 177.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -86.29 -51.15 6.43 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.679 1.192 . . . . 0.0 110.899 173.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.61 -50.61 71.87 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.526 1.53 . . . . 0.0 110.584 -176.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -60.49 -34.64 74.36 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 174.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.15 -41.29 70.63 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.963 0.801 . . . . 0.0 112.39 177.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.68 -44.6 77.39 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.916 0.886 . . . . 0.0 111.895 174.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.8 t -65.43 -28.52 69.3 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.872 1.269 . . . . 0.0 113.112 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -61.59 -27.68 68.81 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.004 0.922 . . . . 0.0 112.594 172.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.67 -66.33 1.46 Allowed Glycine 0 CA--C 1.529 0.956 0 C-N-CA 125.161 1.362 . . . . 0.0 110.647 169.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -163.38 -31.82 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.182 1.393 . . . . 0.0 113.681 171.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.88 -3.15 45.02 Favored Glycine 0 N--CA 1.477 1.411 0 C-N-CA 125.361 1.458 . . . . 0.0 114.629 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.84 -178.81 6.41 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.315 1.446 . . . . 0.0 112.353 172.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -171.34 153.48 3.61 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.067 1.747 . . . . 0.0 112.562 178.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -154.5 156.31 36.45 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.139 1.775 . . . . 0.0 110.474 176.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -108.78 151.45 26.21 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.192 0.997 . . . . 0.0 111.197 170.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -138.54 158.34 44.43 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.666 1.586 . . . . 0.0 111.807 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -134.63 147.04 50.09 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.585 1.554 . . . . 0.0 111.71 175.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -72.75 106.19 4.63 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 123.449 0.699 . . . . 0.0 109.753 172.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.96 -170.47 36.81 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 124.977 1.275 . . . . 0.0 111.495 169.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.3 ttm105 -73.49 -23.64 60.08 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -171.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -111.47 -7.89 14.31 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 125.402 1.481 . . . . 0.0 114.809 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.05 -167.73 30.05 Favored Glycine 0 N--CA 1.473 1.126 0 C-N-CA 126.079 1.8 . . . . 0.0 113.178 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -66.34 128.89 37.92 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.605 0.762 . . . . 0.0 111.73 172.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 44.0 m95 -127.23 142.95 51.35 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.002 1.321 . . . . 0.0 111.187 176.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -81.16 140.01 35.24 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.534 0.734 . . . . 0.0 111.609 -171.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -71.74 155.41 40.49 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.906 0.882 . . . . 0.0 112.726 169.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -66.77 155.55 37.86 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.657 1.183 . . . . 0.0 112.183 172.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -67.16 -22.26 65.77 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.723 1.209 . . . . 0.0 113.306 -176.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -92.32 -13.33 30.45 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.945 0.898 . . . . 0.0 112.197 176.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.9 m -95.97 -53.44 3.67 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.116 1.367 . . . . 0.0 111.228 176.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.0 p -58.86 -30.74 67.95 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -28.87 70.14 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 118.861 -0.59 . . . . 0.0 112.432 174.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -71.83 -37.98 70.23 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.112 0.869 . . . . 0.0 110.106 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.9 mt -69.24 -42.41 75.68 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.741 1.616 . . . . 0.0 110.936 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -70.17 -26.43 63.91 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.043 0.937 . . . . 0.0 113.127 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -82.61 -36.38 26.17 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 120.457 -1.402 . . . . 0.0 111.393 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.94 -51.14 70.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.477 1.511 . . . . 0.0 114.002 -177.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -68.49 -23.98 64.63 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 118.608 0.64 . . . . 0.0 111.988 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.3 t -76.26 -30.11 57.72 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.648 1.179 . . . . 0.0 112.305 175.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -75.87 -41.36 52.42 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.502 1.121 . . . . 0.0 111.976 174.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 126.39 -7.55 7.52 Favored Glycine 0 N--CA 1.469 0.879 0 C-N-CA 125.216 1.389 . . . . 0.0 114.352 177.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -66.93 151.22 48.0 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.024 1.412 . . . . 0.0 112.292 171.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -97.63 -1.24 44.15 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.743 1.217 . . . . 0.0 113.727 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -169.87 153.35 4.79 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.458 1.903 . . . . 0.0 109.676 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.1 t -143.6 164.93 29.0 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.057 1.343 . . . . 0.0 111.298 -175.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -113.05 142.06 46.16 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 125.203 1.401 . . . . 0.0 110.832 -176.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 14.7 ptt? -144.81 144.63 31.25 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.84 1.256 . . . . 0.0 111.902 -173.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.65 141.5 33.43 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 125.59 1.556 . . . . 0.0 109.628 175.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.58 -153.7 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.889 1.275 . . . . 0.0 111.477 -178.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.08 -15.51 14.31 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.23 16.55 0.03 OUTLIER Glycine 0 CA--C 1.535 1.296 0 N-CA-C 116.908 1.523 . . . . 0.0 116.908 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -149.91 155.58 40.26 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 118.965 1.383 . . . . 0.0 111.902 -169.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.71 124.35 43.49 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 171.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -118.48 138.92 52.16 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 124.479 1.112 . . . . 0.0 111.315 172.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.0 t -91.77 128.69 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 125.504 1.522 . . . . 0.0 107.181 170.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.73 119.99 40.94 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.538 1.535 . . . . 0.0 109.759 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -106.34 121.08 43.5 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.17 1.788 . . . . 0.0 111.329 -172.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.2 mt -80.89 -20.89 41.22 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.931 1.693 . . . . 0.0 113.288 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -68.02 -50.7 53.86 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.995 0.816 . . . . 0.0 112.026 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -101.72 -10.89 19.57 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.942 1.697 . . . . 0.0 112.14 -174.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.1 mmt 57.87 68.86 0.79 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.959 2.104 . . . . 0.0 111.344 -171.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 26.9 m -147.81 162.77 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 124.279 1.032 . . . . 0.0 112.319 -175.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.38 148.71 51.33 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.436 1.495 . . . . 0.0 112.094 173.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -162.1 162.81 28.77 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.953 1.701 . . . . 0.0 112.986 -173.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.3 mtp-105 -80.74 146.05 31.21 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.301 1.041 . . . . 0.0 111.081 170.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.2 mtp-105 -52.76 -38.35 60.86 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -169.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -94.6 -4.41 47.85 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.757 1.223 . . . . 0.0 113.723 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -102.69 31.39 4.15 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.282 1.833 . . . . 0.0 111.736 -173.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 35.4 p80 -56.7 -20.01 19.57 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 116.068 1.877 . . . . 0.0 116.068 -169.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -76.98 -5.54 84.9 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 125.768 1.652 . . . . 0.0 114.789 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 74.8 ttt-85 -144.41 141.07 29.41 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.068 1.747 . . . . 0.0 111.062 -175.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -162.91 157.92 21.79 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.496 1.119 . . . . 0.0 112.989 -169.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -130.75 136.35 48.66 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.661 1.584 . . . . 0.0 110.528 -173.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -58.45 147.64 30.94 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 -172.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 5.0 pt -130.29 165.48 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 125.835 1.654 . . . . 0.0 110.107 168.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.5 pttt -155.95 170.5 21.99 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.678 1.191 . . . . 0.0 113.123 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.7 mtt85 -104.37 152.88 21.75 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.112 1.365 . . . . 0.0 109.494 166.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -149.02 179.44 7.87 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.546 1.539 . . . . 0.0 111.233 171.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.0 mm -128.22 137.76 56.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.268 1.427 . . . . 0.0 110.366 -174.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.1 mp -90.5 141.21 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.078 0.951 . . . . 0.0 110.203 171.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -100.96 -24.95 14.24 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.9 mm 72.3 127.76 0.03 OUTLIER Pre-proline 0 N--CA 1.487 1.413 0 C-N-CA 128.693 2.797 . . . . 0.0 112.394 176.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -78.42 164.66 26.15 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.861 3.041 . . . . 0.0 111.456 178.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -59.5 -33.14 70.97 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 176.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -63.73 -22.88 67.13 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.492 1.517 . . . . 0.0 113.397 174.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -86.29 -13.07 69.09 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 125.462 1.506 . . . . 0.0 114.894 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 58.3 t -71.62 112.37 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 118.536 1.168 . . . . 0.0 109.502 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 18.4 m -139.46 10.17 2.49 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.506 1.122 . . . . 0.0 113.75 -170.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.12 -167.41 49.46 Favored Glycine 0 CA--C 1.543 1.795 0 C-N-CA 124.421 1.01 . . . . 0.0 112.765 -171.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -71.11 129.92 16.9 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.437 2.758 . . . . 0.0 110.9 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.7 t -170.06 -173.72 1.6 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.943 1.697 . . . . 0.0 111.007 -175.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 39.3 m 68.78 14.65 8.97 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 126.821 2.048 . . . . 0.0 114.974 173.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.152 0 C-N-CA 125.551 1.548 . . . . 0.0 113.561 179.593 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo . . . . . 0 CA--C 1.537 0.654 0 N-CA-C 113.139 0.4 . . . . 0.0 113.139 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.1 m -78.46 -2.06 36.67 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -174.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -161.23 170.06 20.99 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.887 1.675 . . . . 0.0 111.136 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.44 -141.0 15.47 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 125.3 1.429 . . . . 0.0 111.827 -174.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.0 m -72.97 5.7 3.13 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 -174.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.6 p -76.48 -8.76 57.84 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.456 -1.402 . . . . 0.0 114.12 176.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.7 147.16 14.38 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 124.807 1.194 . . . . 0.0 113.924 176.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -146.87 161.24 41.12 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 127.075 2.15 . . . . 0.0 110.727 -177.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.8 tp -156.01 151.05 26.41 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.133 1.373 . . . . 0.0 111.308 -175.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -148.52 169.02 21.21 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.3 1.84 . . . . 0.0 111.095 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -88.31 159.3 47.78 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 126.402 1.881 . . . . 0.0 114.008 -171.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -74.21 177.22 8.55 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 124.335 3.357 . . . . 0.0 112.647 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.4 t -161.46 169.63 21.51 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.835 1.654 . . . . 0.0 111.88 -175.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp -113.33 -4.54 13.65 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.592 1.957 . . . . 0.0 111.825 -179.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.9 mt -88.67 -175.69 5.01 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.848 1.259 . . . . 0.0 112.583 -176.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.9 m -98.14 157.67 34.09 Favored Pre-proline 0 CA--C 1.54 0.591 0 C-N-CA 126.542 1.937 . . . . 0.0 112.008 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -61.07 -24.42 79.4 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 123.952 3.101 . . . . 0.0 113.108 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -86.8 -11.44 50.96 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.528 1.131 . . . . 0.0 113.896 177.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -86.56 -51.28 6.26 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.763 1.225 . . . . 0.0 110.937 173.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mt -61.16 -50.82 71.62 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 125.566 1.546 . . . . 0.0 110.753 -177.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -61.19 -31.54 71.29 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 175.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.44 -41.68 62.93 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.019 0.827 . . . . 0.0 112.451 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.57 -43.25 81.07 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.9 0.88 . . . . 0.0 111.928 174.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.5 t -68.44 -20.72 64.66 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.479 1.112 . . . . 0.0 113.306 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -66.1 -27.05 67.77 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.805 0.842 . . . . 0.0 112.072 171.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -85.69 -66.46 1.42 Allowed Glycine 0 CA--C 1.528 0.864 0 C-N-CA 125.215 1.388 . . . . 0.0 110.691 169.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -164.18 -31.42 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.885 1.274 . . . . 0.0 113.816 173.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.82 -2.18 52.26 Favored Glycine 0 N--CA 1.476 1.342 0 C-N-CA 125.281 1.419 . . . . 0.0 114.67 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.24 -178.72 6.55 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.365 1.466 . . . . 0.0 112.096 171.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -171.41 152.73 3.35 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.983 1.713 . . . . 0.0 112.536 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -153.24 152.74 31.52 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.827 1.651 . . . . 0.0 110.728 177.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -108.26 149.51 28.51 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.791 1.236 . . . . 0.0 110.578 173.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -139.66 150.01 44.4 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.731 1.612 . . . . 0.0 112.027 -177.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -135.87 150.98 49.56 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.384 1.474 . . . . 0.0 112.072 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -75.96 113.05 13.03 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 120.776 0.322 . . . . 0.0 110.881 172.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.24 -146.85 20.68 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 125.369 1.461 . . . . 0.0 111.955 170.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -76.08 -42.57 46.89 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.747 0.819 . . . . 0.0 112.44 178.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -106.85 -8.94 16.52 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 -170.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 155.96 -159.48 29.36 Favored Glycine 0 N--CA 1.473 1.166 0 C-N-CA 124.847 1.213 . . . . 0.0 113.315 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -76.17 131.11 39.16 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.164 0.986 . . . . 0.0 111.644 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -130.81 143.32 50.66 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.962 1.305 . . . . 0.0 111.268 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -83.08 141.15 32.22 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.615 0.766 . . . . 0.0 111.143 -174.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -70.51 162.83 28.07 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 169.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -76.13 154.35 35.55 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.268 0.627 . . . . 0.0 110.202 169.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -68.24 -19.62 64.75 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.407 1.083 . . . . 0.0 113.6 -177.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -67.76 -37.06 81.61 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.946 0.899 . . . . 0.0 111.416 170.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.1 m -90.3 -52.62 4.84 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.521 1.928 . . . . 0.0 112.431 -173.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 85.2 p -60.43 -30.68 69.79 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.332 0.969 . . . . 0.0 113.528 -173.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -29.74 71.0 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-O 118.754 -0.641 . . . . 0.0 112.233 175.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -69.63 -35.55 75.33 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.278 0.945 . . . . 0.0 110.362 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.9 mt -74.57 -42.8 58.11 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.864 1.666 . . . . 0.0 110.693 -177.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -69.52 -26.95 64.77 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.944 0.898 . . . . 0.0 113.248 174.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -80.56 -35.71 33.98 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 120.593 -1.317 . . . . 0.0 111.432 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.83 -52.33 65.52 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.235 1.414 . . . . 0.0 114.336 -176.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -68.17 -23.22 64.83 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.678 0.672 . . . . 0.0 112.055 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 t -76.53 -31.2 57.5 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.699 1.2 . . . . 0.0 112.31 174.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -74.54 -41.26 60.9 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.621 1.169 . . . . 0.0 111.846 174.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 126.08 -7.57 7.66 Favored Glycine 0 N--CA 1.469 0.852 0 C-N-CA 125.083 1.325 . . . . 0.0 114.218 178.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -66.73 150.84 48.51 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.062 1.431 . . . . 0.0 112.223 171.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -97.88 -1.3 43.3 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.959 1.304 . . . . 0.0 113.517 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -167.86 150.17 5.63 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.09 1.756 . . . . 0.0 110.663 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.4 t -140.84 -179.9 6.33 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.681 1.592 . . . . 0.0 110.91 -176.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -130.71 145.13 51.86 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 125.077 1.351 . . . . 0.0 111.614 -170.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -153.62 151.35 29.62 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.829 1.251 . . . . 0.0 112.093 -174.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.34 142.33 34.75 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.962 1.705 . . . . 0.0 109.989 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -119.35 -150.93 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.874 1.27 . . . . 0.0 111.712 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.89 -15.84 24.6 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.45 13.85 0.03 OUTLIER Glycine 0 CA--C 1.534 1.269 0 N-CA-C 116.847 1.499 . . . . 0.0 116.847 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -149.18 150.24 32.31 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.909 1.355 . . . . 0.0 112.321 -169.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.41 125.43 35.55 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.656 1.183 . . . . 0.0 108.462 169.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -117.39 134.82 54.38 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.845 1.258 . . . . 0.0 112.015 173.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 42.1 t -90.65 108.62 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 125.658 1.583 . . . . 0.0 108.402 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.34 100.14 9.05 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.971 1.708 . . . . 0.0 111.284 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -89.31 116.78 27.78 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.931 1.292 . . . . 0.0 111.119 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.5 mt -77.19 -22.5 52.29 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.317 1.447 . . . . 0.0 112.76 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -67.62 -48.28 67.24 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 118.954 0.797 . . . . 0.0 112.321 -176.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -100.24 -11.14 20.63 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.09 1.756 . . . . 0.0 111.495 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 58.76 66.84 1.0 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.889 2.076 . . . . 0.0 111.052 -170.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.2 m -147.24 157.73 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -174.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -114.02 140.15 48.68 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 126.553 1.941 . . . . 0.0 111.451 172.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -153.45 153.84 33.27 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.924 1.29 . . . . 0.0 112.209 171.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -71.95 140.72 49.31 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.921 0.888 . . . . 0.0 110.419 174.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 72.6 mtp85 -47.66 -36.55 11.2 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 -173.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -97.13 -4.73 38.78 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.673 1.189 . . . . 0.0 114.201 -177.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -102.79 109.34 20.89 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.767 1.227 . . . . 0.0 111.267 -174.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -93.11 -22.42 19.1 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.818 1.247 . . . . 0.0 113.236 177.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.05 -12.21 83.59 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.937 1.256 . . . . 0.0 115.628 -171.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 -140.51 165.2 28.1 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.301 1.441 . . . . 0.0 113.787 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -165.49 157.17 14.61 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 127.291 2.236 . . . . 0.0 112.215 169.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -118.06 127.09 53.46 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.165 1.786 . . . . 0.0 110.604 177.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.2 145.68 55.5 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.878 1.271 . . . . 0.0 113.34 179.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.1 pt -131.88 167.02 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.287 1.435 . . . . 0.0 111.609 177.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -155.63 166.52 33.26 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.316 1.446 . . . . 0.0 112.467 -178.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -105.1 154.07 20.66 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.978 1.311 . . . . 0.0 111.028 168.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.81 -179.18 6.61 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.631 1.572 . . . . 0.0 110.97 169.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.8 mm -128.5 137.95 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 125.813 1.645 . . . . 0.0 109.963 -174.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.1 mp -90.28 140.88 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 123.97 0.908 . . . . 0.0 110.167 171.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -101.78 -23.39 14.2 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -178.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 25.2 mm 72.92 128.64 0.03 OUTLIER Pre-proline 0 N--CA 1.488 1.469 0 C-N-CA 128.574 2.749 . . . . 0.0 112.159 176.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -76.29 164.06 31.57 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 123.647 2.898 . . . . 0.0 111.486 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -58.88 -29.58 67.11 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -68.98 -23.55 64.13 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.406 1.483 . . . . 0.0 113.354 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -91.94 -8.95 62.91 Favored Glycine 0 N--CA 1.475 1.237 0 C-N-CA 125.789 1.662 . . . . 0.0 115.342 -177.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 72.9 t -74.99 120.42 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.554 1.142 . . . . 0.0 110.009 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 12.6 m -162.16 138.84 8.0 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.66 1.984 . . . . 0.0 110.796 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -101.11 171.39 22.41 Favored Glycine 0 CA--C 1.542 1.742 0 C-N-CA 125.003 1.287 . . . . 0.0 113.509 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -73.79 153.05 48.01 Favored 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 123.921 3.08 . . . . 0.0 111.298 177.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.6 m -77.83 -2.38 36.25 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -175.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.7 m -167.47 161.99 14.24 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 127.213 2.205 . . . . 0.0 111.323 -177.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 C-N-CA 125.027 1.299 . . . . 0.0 112.719 177.808 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo . . . . . 0 N--CA 1.485 0.986 0 N-CA-C 113.023 0.355 . . . . 0.0 113.023 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m 69.08 8.89 7.1 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 125.666 1.586 . . . . 0.0 115.002 169.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 t -163.79 160.48 22.46 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.245 1.818 . . . . 0.0 110.735 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.55 156.95 33.95 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.699 1.142 . . . . 0.0 113.6 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -85.63 8.22 20.35 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.818 1.247 . . . . 0.0 113.804 -178.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -73.37 23.28 0.07 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 127.009 2.124 . . . . 0.0 115.929 -169.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.35 -179.0 52.29 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.921 1.248 . . . . 0.0 113.385 175.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -73.14 171.84 12.19 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.198 0.999 . . . . 0.0 112.046 173.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.9 tp -122.49 137.8 54.76 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.852 1.261 . . . . 0.0 111.083 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -150.01 169.76 20.45 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.486 1.914 . . . . 0.0 110.275 173.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -141.11 159.51 61.36 Favored Pre-proline 0 CA--C 1.549 0.914 0 C-N-CA 126.578 1.951 . . . . 0.0 112.909 -169.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -72.31 171.11 17.62 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 124.056 3.171 . . . . 0.0 112.68 -174.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.2 t -170.09 173.43 5.92 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.383 1.873 . . . . 0.0 111.246 -169.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mt -105.76 -19.16 13.84 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.064 2.146 . . . . 0.0 111.658 177.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.0 mt -78.57 179.37 7.13 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 123.03 1.395 . . . . 0.0 113.366 -174.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.9 m -87.32 155.12 54.54 Favored Pre-proline 0 CA--C 1.541 0.6 0 C-N-CA 126.68 1.992 . . . . 0.0 112.285 177.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -62.69 -18.69 65.37 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 124.124 3.216 . . . . 0.0 113.218 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -83.09 -33.25 26.42 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.908 0.883 . . . . 0.0 112.147 176.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -68.93 -49.01 61.78 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.117 1.367 . . . . 0.0 111.796 -176.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 mt -64.66 -44.44 90.4 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.94 1.696 . . . . 0.0 110.299 -176.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -62.04 -45.39 93.79 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.972 170.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.38 -33.2 75.39 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.509 1.05 . . . . 0.0 113.411 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.3 -28.67 66.99 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.092 0.957 . . . . 0.0 113.561 175.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -95.77 -52.74 3.96 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.843 0.857 . . . . 0.0 111.433 176.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -63.19 -20.96 65.89 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.019 1.728 . . . . 0.0 114.076 -175.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.75 -18.65 57.12 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.544 1.545 . . . . 0.0 114.617 177.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -146.16 -34.61 0.3 Allowed 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 169.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.48 9.51 69.23 Favored Glycine 0 CA--C 1.535 1.288 0 O-C-N 121.139 -0.976 . . . . 0.0 114.748 172.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.09 -176.2 4.45 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.779 1.632 . . . . 0.0 111.903 171.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -170.38 152.31 4.0 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.616 1.566 . . . . 0.0 112.36 178.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -153.01 156.46 38.85 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.679 1.592 . . . . 0.0 111.049 177.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -116.89 147.84 41.83 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.912 1.285 . . . . 0.0 110.346 171.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -137.12 155.32 49.76 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.976 1.31 . . . . 0.0 111.627 -178.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -128.4 149.51 50.51 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.826 1.65 . . . . 0.0 111.627 174.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -79.65 108.91 13.56 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 172.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.01 -158.13 31.98 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.951 1.262 . . . . 0.0 112.126 171.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.76 -44.35 96.85 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.097 0.959 . . . . 0.0 112.83 -177.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -107.73 -9.52 15.79 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 -170.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 153.81 -159.54 28.78 Favored Glycine 0 N--CA 1.473 1.156 0 C-N-CA 125.227 1.394 . . . . 0.0 113.406 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -69.52 132.55 46.44 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.107 0.963 . . . . 0.0 112.596 174.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 72.8 m95 -133.25 139.2 46.81 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.372 1.469 . . . . 0.0 110.782 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -82.0 141.63 33.08 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.576 0.75 . . . . 0.0 111.799 -170.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -71.61 162.57 29.24 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.406 1.082 . . . . 0.0 113.712 171.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -78.41 148.28 33.69 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.81 0.844 . . . . 0.0 110.712 170.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.88 -19.96 65.47 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -178.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -63.26 -39.98 96.12 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.684 1.194 . . . . 0.0 111.525 170.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 66.0 m -92.36 -52.05 4.85 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 127.169 2.187 . . . . 0.0 112.162 -173.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 86.4 p -61.17 -30.09 70.19 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.089 0.859 . . . . 0.0 113.301 -173.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -29.78 70.73 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 174.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.0 -34.7 71.63 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.208 0.913 . . . . 0.0 110.387 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.0 mt -75.24 -43.35 52.07 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.003 1.721 . . . . 0.0 110.495 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -63.86 -30.89 71.93 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.543 1.537 . . . . 0.0 113.219 175.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -81.09 -33.42 33.36 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.155 -0.966 . . . . 0.0 111.546 -177.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.57 -50.84 71.93 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.002 1.321 . . . . 0.0 114.119 -173.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -68.55 -21.82 64.53 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 118.69 0.677 . . . . 0.0 112.317 175.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 t -79.96 -28.79 39.57 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.753 1.221 . . . . 0.0 112.406 175.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -76.77 -41.09 46.09 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.993 1.317 . . . . 0.0 111.992 173.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.63 -7.25 8.4 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 124.926 1.251 . . . . 0.0 114.379 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -67.35 151.3 47.71 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 118.904 1.352 . . . . 0.0 112.183 171.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -97.47 -2.08 42.79 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.8 1.24 . . . . 0.0 113.677 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -167.47 150.62 6.18 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.974 1.709 . . . . 0.0 110.669 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.3 t -141.63 179.98 6.51 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.724 1.609 . . . . 0.0 111.026 -176.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -129.59 146.97 51.35 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 125.344 1.458 . . . . 0.0 111.88 -172.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -156.26 155.19 31.92 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.131 1.373 . . . . 0.0 111.987 -176.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.59 142.42 35.37 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.9 1.68 . . . . 0.0 110.008 177.703 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -119.59 -152.82 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.885 1.274 . . . . 0.0 111.869 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.76 -16.22 15.79 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 178.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.72 15.57 0.03 OUTLIER Glycine 0 CA--C 1.533 1.195 0 N-CA-C 116.656 1.423 . . . . 0.0 116.656 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -150.5 152.19 33.83 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.83 1.315 . . . . 0.0 112.552 -169.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.07 125.83 35.97 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 169.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -118.67 134.16 55.32 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.963 0.905 . . . . 0.0 112.127 171.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 49.6 t -86.13 109.52 18.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 125.892 1.677 . . . . 0.0 108.272 174.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.5 99.93 8.29 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.573 1.549 . . . . 0.0 111.105 176.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -86.23 116.23 24.28 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.224 1.41 . . . . 0.0 110.876 175.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.8 mt -71.72 -32.3 67.63 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.022 1.329 . . . . 0.0 112.529 177.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -63.48 -48.63 76.86 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.467 1.107 . . . . 0.0 112.875 -171.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -101.08 -6.78 23.91 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.325 1.45 . . . . 0.0 112.087 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 58.99 65.27 1.24 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.857 2.063 . . . . 0.0 111.553 -174.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.8 m -145.01 160.89 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -175.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -121.19 132.32 54.76 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 127.953 2.501 . . . . 0.0 110.339 178.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -152.19 160.15 43.44 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.253 1.021 . . . . 0.0 113.681 176.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 -71.5 140.05 49.8 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.142 0.977 . . . . 0.0 111.116 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -49.06 -39.29 26.97 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.363 1.465 . . . . 0.0 114.517 -175.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -97.1 -0.57 46.87 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.044 1.337 . . . . 0.0 113.847 -176.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -147.16 60.54 1.18 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.98 1.312 . . . . 0.0 110.497 -169.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -61.41 -20.47 63.1 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -176.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.12 -12.28 75.64 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 125.497 1.522 . . . . 0.0 114.437 177.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.12 14.44 4.23 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 118.783 1.292 . . . . 0.0 113.475 177.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -56.19 146.2 24.06 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 116.448 2.018 . . . . 0.0 116.448 -168.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 -136.13 137.1 40.64 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 127.254 2.222 . . . . 0.0 110.838 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.85 147.85 51.12 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 -171.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.2 pt -135.65 170.98 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 126.752 2.021 . . . . 0.0 111.446 170.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.7 pttt -155.5 165.86 35.31 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.571 1.548 . . . . 0.0 112.823 173.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 30.0 mtp-105 -101.46 152.04 21.23 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.369 1.468 . . . . 0.0 109.623 166.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.31 178.04 10.21 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.141 1.376 . . . . 0.0 111.682 174.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.7 mm -128.52 139.46 51.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 125.485 1.514 . . . . 0.0 110.393 -176.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.0 mp -92.98 140.85 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.988 0.915 . . . . 0.0 110.448 171.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -104.48 -21.83 13.39 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.7 mm 75.91 127.69 0.03 OUTLIER Pre-proline 0 N--CA 1.486 1.364 0 C-N-CA 129.123 2.969 . . . . 0.0 111.85 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -77.16 166.9 25.77 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 123.778 2.986 . . . . 0.0 111.497 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -58.46 -33.94 70.3 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -64.12 -22.88 67.11 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.121 1.368 . . . . 0.0 113.316 174.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -88.93 -8.72 68.93 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 125.814 1.673 . . . . 0.0 115.139 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 65.9 t -76.49 116.23 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-N 118.544 1.172 . . . . 0.0 109.555 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.6 m -165.92 156.87 13.39 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 127.533 2.333 . . . . 0.0 110.218 -178.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -73.35 135.03 20.43 Favored Glycine 0 CA--C 1.542 1.736 0 CA-C-O 118.402 -1.221 . . . . 0.0 111.981 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -77.67 158.4 31.91 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.604 2.869 . . . . 0.0 111.786 -179.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.9 m -75.77 -4.54 41.08 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -178.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.1 t -164.39 161.41 21.57 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.347 1.859 . . . . 0.0 111.007 -178.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.167 0 C-N-CA 125.174 1.369 . . . . 0.0 112.866 -178.265 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo . . . . . 0 CA--C 1.541 0.852 0 N-CA-C 113.462 0.524 . . . . 0.0 113.462 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 t -163.36 152.24 14.32 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.036 1.335 . . . . 0.0 111.163 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.0 p -88.76 -6.17 57.58 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.943 1.297 . . . . 0.0 113.455 173.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.29 148.82 30.04 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 124.874 1.226 . . . . 0.0 113.131 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t -165.69 167.39 17.18 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.851 1.66 . . . . 0.0 110.809 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.3 m -167.82 152.08 6.46 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.733 2.013 . . . . 0.0 111.206 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.55 147.84 18.83 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 124.767 1.175 . . . . 0.0 112.005 172.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -142.41 159.41 42.28 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.689 1.596 . . . . 0.0 111.987 -173.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.2 tp -155.55 147.67 23.55 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.096 1.759 . . . . 0.0 110.253 -177.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -151.65 173.07 15.11 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.805 1.642 . . . . 0.0 111.575 -176.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -127.51 158.77 68.76 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 126.623 1.969 . . . . 0.0 112.944 -173.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -73.36 174.05 12.77 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 124.251 3.301 . . . . 0.0 112.744 -175.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.4 t -166.17 169.08 14.74 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.505 1.922 . . . . 0.0 111.075 -172.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mt -102.72 -20.0 14.54 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.8 2.04 . . . . 0.0 111.589 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.4 mt -77.93 179.17 6.91 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 123.065 1.412 . . . . 0.0 113.373 -173.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.9 m -89.85 155.88 47.44 Favored Pre-proline 0 CA--C 1.539 0.55 0 C-N-CA 126.653 1.981 . . . . 0.0 112.3 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -61.82 -20.32 68.79 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 124.113 3.209 . . . . 0.0 113.094 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -82.03 -33.37 30.02 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.232 1.013 . . . . 0.0 112.219 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -69.57 -48.67 59.5 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.921 1.288 . . . . 0.0 111.583 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 mt -63.73 -48.82 75.51 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 125.749 1.62 . . . . 0.0 109.948 -177.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -58.82 -41.49 86.98 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 118.753 -0.641 . . . . 0.0 112.58 171.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.39 93.0 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.607 1.094 . . . . 0.0 112.651 177.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.94 -43.8 91.57 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.066 0.946 . . . . 0.0 111.859 173.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.9 t -65.48 -37.63 87.4 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.818 1.247 . . . . 0.0 112.998 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -68.3 -17.24 64.23 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.956 1.302 . . . . 0.0 113.352 172.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.02 -58.81 2.16 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.918 1.247 . . . . 0.0 110.467 169.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -164.3 -30.81 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.431 1.492 . . . . 0.0 113.924 173.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.04 27.83 6.42 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 125.202 1.382 . . . . 0.0 113.626 -169.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -140.39 -176.85 4.77 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.63 1.972 . . . . 0.0 110.332 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -171.66 150.8 2.78 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.467 1.507 . . . . 0.0 112.911 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -153.51 153.45 32.46 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.244 1.418 . . . . 0.0 112.496 177.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -101.54 147.57 26.23 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.493 1.517 . . . . 0.0 110.595 169.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -139.82 150.98 45.34 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.821 1.248 . . . . 0.0 112.154 176.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -130.85 149.92 52.26 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.273 1.429 . . . . 0.0 111.986 175.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -76.6 110.56 11.27 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 120.753 0.311 . . . . 0.0 110.403 172.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -90.95 -147.65 19.71 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.268 1.413 . . . . 0.0 111.714 171.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -73.38 -40.7 64.13 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 122.023 -0.693 . . . . 0.0 112.733 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -108.95 -10.1 15.08 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 115.48 1.659 . . . . 0.0 115.48 -170.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 155.91 -160.29 29.92 Favored Glycine 0 N--CA 1.474 1.231 0 C-N-CA 125.044 1.307 . . . . 0.0 113.443 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -71.77 131.09 42.6 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.349 1.059 . . . . 0.0 111.915 174.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -131.02 140.86 50.17 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.845 1.258 . . . . 0.0 111.02 177.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -82.24 142.43 32.14 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.015 0.926 . . . . 0.0 111.203 -172.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -72.62 162.22 29.76 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -72.12 153.7 41.52 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.837 1.255 . . . . 0.0 111.943 170.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -69.44 -19.6 63.78 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.81 1.244 . . . . 0.0 113.368 -175.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.1 mmt85 -95.07 -13.4 25.19 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.232 1.013 . . . . 0.0 112.079 177.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.4 m -95.49 -53.61 3.68 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.854 1.262 . . . . 0.0 110.979 175.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 64.9 p -58.23 -30.22 66.35 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -178.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -28.85 70.31 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 175.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -71.56 -36.39 70.91 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 118.926 0.785 . . . . 0.0 110.064 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.5 mt -72.65 -41.84 65.01 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.935 1.694 . . . . 0.0 110.557 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -61.55 -33.24 73.5 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.999 1.32 . . . . 0.0 113.295 172.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -82.09 -34.19 29.43 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.274 -0.891 . . . . 0.0 111.249 -175.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.56 -50.37 73.81 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.996 1.318 . . . . 0.0 114.104 -174.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -67.63 -24.48 65.47 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.868 0.758 . . . . 0.0 112.026 175.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.0 t -76.87 -30.55 56.29 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.734 1.214 . . . . 0.0 112.504 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -75.55 -41.31 55.25 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.879 1.272 . . . . 0.0 111.894 174.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.72 -7.44 8.9 Favored Glycine 0 N--CA 1.469 0.888 0 C-N-CA 125.038 1.304 . . . . 0.0 113.952 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -65.84 151.03 47.6 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.05 1.425 . . . . 0.0 112.387 172.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -96.49 -2.51 45.08 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.871 1.269 . . . . 0.0 113.551 -178.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -169.03 152.2 5.06 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.263 1.825 . . . . 0.0 110.43 178.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.1 t -142.55 -179.12 6.11 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.469 1.507 . . . . 0.0 111.129 -176.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -130.96 146.52 52.39 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.32 1.448 . . . . 0.0 111.743 -170.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -155.34 152.93 29.74 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.925 1.29 . . . . 0.0 112.215 -174.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.66 143.07 34.33 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.892 1.677 . . . . 0.0 110.212 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.76 -152.52 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.983 1.313 . . . . 0.0 111.966 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.18 -15.63 15.88 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 178.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.45 15.01 0.03 OUTLIER Glycine 0 CA--C 1.534 1.276 0 N-CA-C 116.68 1.432 . . . . 0.0 116.68 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -150.1 150.5 31.78 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.857 1.328 . . . . 0.0 112.381 -169.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.51 126.08 35.8 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.67 1.188 . . . . 0.0 108.227 169.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -118.19 136.89 53.36 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.75 1.22 . . . . 0.0 112.503 173.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 41.0 t -92.47 109.11 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 C-N-CA 126.226 1.81 . . . . 0.0 108.517 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.55 101.91 10.27 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.606 1.562 . . . . 0.0 111.273 177.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -89.12 111.81 22.66 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.603 1.161 . . . . 0.0 110.684 177.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.7 mt -70.96 -26.7 63.28 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.562 1.545 . . . . 0.0 113.098 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -73.55 -46.39 47.81 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.9 0.88 . . . . 0.0 112.621 -172.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -101.13 -6.66 24.03 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.502 1.521 . . . . 0.0 112.107 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.4 mmt 57.92 64.83 1.43 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.772 2.029 . . . . 0.0 111.617 -175.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.9 m -145.02 157.45 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -177.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -120.5 129.58 53.9 Favored 'General case' 0 N--CA 1.461 0.108 0 C-N-CA 126.76 2.024 . . . . 0.0 110.82 176.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -148.63 157.91 43.78 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.705 1.202 . . . . 0.0 113.122 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.1 ttt-85 -73.06 143.13 47.57 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.583 1.153 . . . . 0.0 111.044 175.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.9 mtp85 -52.02 -32.87 35.93 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -173.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -86.18 -19.43 30.06 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -174.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.15 127.91 7.33 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 122.578 1.18 . . . . 0.0 113.399 -178.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 53.4 p-80 -82.94 -15.75 50.11 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.209 1.404 . . . . 0.0 114.067 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.1 -13.88 60.54 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.091 1.329 . . . . 0.0 115.011 -175.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -86.23 1.13 51.97 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.511 1.525 . . . . 0.0 113.475 173.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -54.37 128.77 33.03 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -168.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -112.29 132.89 54.71 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.87 2.068 . . . . 0.0 110.524 178.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -67.08 145.76 55.01 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.881 1.272 . . . . 0.0 113.354 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.5 pt -129.36 170.63 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.459 1.503 . . . . 0.0 111.462 174.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -152.05 165.18 35.51 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.692 1.197 . . . . 0.0 112.767 178.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 61.3 mtp85 -106.1 142.31 36.01 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 126.107 1.763 . . . . 0.0 109.063 169.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -149.57 179.99 7.54 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.786 1.234 . . . . 0.0 112.235 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.0 mm -129.48 139.83 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.916 1.686 . . . . 0.0 110.263 -175.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.4 mp -90.4 141.56 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.232 1.013 . . . . 0.0 110.521 172.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -99.78 -22.98 15.13 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.7 mm 73.34 127.12 0.03 OUTLIER Pre-proline 0 N--CA 1.487 1.376 0 C-N-CA 128.836 2.854 . . . . 0.0 112.46 175.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -80.12 165.48 21.49 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 124.087 3.191 . . . . 0.0 111.542 177.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -60.63 -32.57 71.72 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 175.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -62.97 -20.25 65.08 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.439 1.496 . . . . 0.0 113.437 173.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -83.38 -12.74 77.96 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 125.505 1.526 . . . . 0.0 114.846 178.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 62.0 t -70.52 116.31 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-N 118.561 1.18 . . . . 0.0 109.129 177.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.4 m -131.07 6.81 4.61 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 -169.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.32 -170.59 52.55 Favored Glycine 0 CA--C 1.544 1.848 0 C-N-CA 124.447 1.023 . . . . 0.0 113.51 -177.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -74.21 155.33 46.86 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.866 3.044 . . . . 0.0 111.972 -177.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.7 t -164.74 176.75 8.53 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.586 1.555 . . . . 0.0 111.084 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.7 t -160.81 140.57 10.89 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.404 1.482 . . . . 0.0 111.3 -178.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 C-N-CA 125.629 1.585 . . . . 0.0 113.133 177.652 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 CA--C 1.54 0.79 0 N-CA-C 113.351 0.481 . . . . 0.0 113.351 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 m -163.05 158.28 21.86 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.566 1.946 . . . . 0.0 110.472 178.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 m -78.38 0.46 25.58 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 -174.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.39 -141.31 7.62 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.735 1.636 . . . . 0.0 113.103 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.1 t -161.04 -39.23 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.654 1.182 . . . . 0.0 112.301 -178.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.9 p -157.16 160.44 38.77 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.245 1.418 . . . . 0.0 111.624 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.42 165.93 41.65 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.636 1.112 . . . . 0.0 113.459 -175.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -144.87 172.11 13.49 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.236 1.815 . . . . 0.0 111.577 -171.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.4 tp -139.17 135.51 34.09 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.493 1.517 . . . . 0.0 110.072 178.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -158.23 168.9 25.78 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.862 1.665 . . . . 0.0 111.521 -171.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -66.67 158.9 77.62 Favored Pre-proline 0 CA--C 1.554 1.118 0 C-N-CA 126.805 2.042 . . . . 0.0 113.223 176.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -72.11 172.08 15.47 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.908 3.072 . . . . 0.0 112.768 -174.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.7 t -167.09 171.33 11.09 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.599 1.96 . . . . 0.0 111.234 -169.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp -107.72 -4.41 18.2 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.169 1.788 . . . . 0.0 111.726 -179.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.4 mt -90.61 -178.91 5.42 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.828 1.251 . . . . 0.0 112.518 -177.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.6 m -89.77 156.27 47.41 Favored Pre-proline 0 CA--C 1.54 0.587 0 C-N-CA 126.329 1.852 . . . . 0.0 111.656 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -61.96 -21.36 72.19 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 124.09 3.193 . . . . 0.0 113.053 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -79.88 -32.81 40.36 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.315 1.046 . . . . 0.0 112.275 176.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -69.38 -48.22 61.83 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.944 1.298 . . . . 0.0 111.956 -174.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 mt -65.04 -41.9 94.78 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.781 1.632 . . . . 0.0 110.261 -176.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -63.64 -46.46 85.54 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.511 0.724 . . . . 0.0 111.826 170.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.34 -33.32 75.57 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.236 0.925 . . . . 0.0 113.327 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.57 -28.91 65.98 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.317 1.047 . . . . 0.0 113.393 174.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.7 t -93.51 -51.3 5.02 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.883 0.873 . . . . 0.0 111.546 176.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 tpp85 -60.41 -21.79 62.64 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.178 1.791 . . . . 0.0 114.377 -176.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.66 -19.38 67.07 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 125.146 1.355 . . . . 0.0 114.869 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -151.19 -34.25 0.15 Allowed 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 174.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.99 12.17 71.77 Favored Glycine 0 N--CA 1.478 1.462 0 O-C-N 121.01 -1.056 . . . . 0.0 115.072 173.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.32 -174.93 3.48 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.002 1.721 . . . . 0.0 111.531 170.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -171.3 152.23 3.3 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.85 1.66 . . . . 0.0 111.807 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -151.49 145.67 25.35 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.871 1.668 . . . . 0.0 110.019 175.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 27.6 m95 -107.34 147.8 29.84 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.515 1.126 . . . . 0.0 110.063 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -138.23 150.08 46.37 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.984 1.314 . . . . 0.0 111.934 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -137.18 155.79 49.12 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.539 1.536 . . . . 0.0 111.854 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -76.75 117.22 18.15 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.041 0.448 . . . . 0.0 111.85 175.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -104.74 -161.86 24.04 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.259 1.409 . . . . 0.0 112.165 169.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -61.77 -45.03 95.66 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.057 0.943 . . . . 0.0 112.735 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -106.69 -7.38 17.33 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -169.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 155.32 -159.2 28.98 Favored Glycine 0 N--CA 1.473 1.12 0 C-N-CA 125.026 1.298 . . . . 0.0 113.393 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -77.51 132.79 38.56 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.308 1.043 . . . . 0.0 111.661 175.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -131.81 144.58 51.02 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.804 1.242 . . . . 0.0 111.264 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -84.01 141.86 30.89 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.027 0.931 . . . . 0.0 111.236 -173.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -71.2 161.73 30.61 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 169.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -74.02 150.75 40.5 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.778 0.831 . . . . 0.0 111.171 169.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.49 -22.08 66.86 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -177.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -68.79 -39.5 80.1 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 121.362 -0.836 . . . . 0.0 111.349 170.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.2 m -82.06 -53.17 6.33 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.691 1.597 . . . . 0.0 112.524 -176.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.1 p -61.53 -31.53 71.55 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -171.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -28.35 69.87 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-O 118.899 -0.572 . . . . 0.0 112.263 175.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -70.46 -36.76 74.1 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.301 0.955 . . . . 0.0 110.304 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.2 mt -71.22 -43.07 68.05 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.892 1.677 . . . . 0.0 110.437 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -64.13 -33.0 74.77 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.604 1.562 . . . . 0.0 113.111 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -82.2 -33.37 29.42 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.114 -0.991 . . . . 0.0 111.519 -176.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.93 -48.63 79.35 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.894 1.278 . . . . 0.0 113.854 -177.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -69.73 -21.33 63.47 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 118.658 0.663 . . . . 0.0 112.499 175.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 t -80.46 -30.55 37.49 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.686 1.195 . . . . 0.0 112.428 175.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -74.46 -45.7 44.47 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.025 1.33 . . . . 0.0 111.303 176.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.65 -7.63 6.96 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 125.119 1.342 . . . . 0.0 114.034 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -66.63 151.53 47.16 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 118.87 1.335 . . . . 0.0 112.362 171.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -96.82 -3.24 42.54 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.819 1.248 . . . . 0.0 113.552 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -168.03 151.16 5.77 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 126.199 1.8 . . . . 0.0 110.301 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.9 t -140.2 179.04 6.86 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.386 1.474 . . . . 0.0 111.104 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -131.37 145.55 51.88 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 125.19 1.396 . . . . 0.0 111.581 -170.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -154.18 150.67 28.35 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.73 1.212 . . . . 0.0 112.107 -174.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.41 141.96 35.05 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.828 1.651 . . . . 0.0 109.786 177.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -118.12 -150.14 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.785 1.234 . . . . 0.0 111.499 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.43 -15.31 25.2 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 177.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.63 12.83 0.03 OUTLIER Glycine 0 CA--C 1.536 1.383 0 N-CA-C 116.883 1.513 . . . . 0.0 116.883 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -148.67 150.53 33.36 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.908 1.354 . . . . 0.0 112.408 -169.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.64 125.32 35.2 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.639 1.176 . . . . 0.0 108.511 169.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -117.21 134.75 54.42 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.659 1.183 . . . . 0.0 111.775 172.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.7 t -91.86 109.92 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 125.982 1.713 . . . . 0.0 108.37 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.44 98.72 9.04 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.909 1.684 . . . . 0.0 111.147 179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -86.72 113.35 22.5 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.667 1.187 . . . . 0.0 110.886 177.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.5 mt -72.21 -26.54 62.09 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.3 1.44 . . . . 0.0 112.934 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -69.44 -46.99 65.45 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.913 0.885 . . . . 0.0 112.61 -173.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -101.19 -6.85 23.71 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.397 1.479 . . . . 0.0 112.086 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.1 mmt 58.46 63.18 1.77 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.892 2.077 . . . . 0.0 111.321 -173.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 35.4 m -142.68 153.68 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -177.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 50.7 mm-40 -106.32 140.21 39.61 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 125.971 1.708 . . . . 0.0 110.849 169.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -152.29 156.27 39.32 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.999 1.32 . . . . 0.0 112.401 169.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -74.83 142.98 44.13 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.536 1.135 . . . . 0.0 110.733 176.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 74.4 mtp85 -53.39 -27.69 25.42 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -71.42 -24.7 62.09 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -178.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -164.51 128.93 2.61 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.675 1.19 . . . . 0.0 111.927 175.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 52.8 p-80 -80.81 -15.59 56.0 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.436 1.272 . . . . 0.0 114.436 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.41 -64.33 4.22 Favored Glycine 0 N--CA 1.471 0.985 0 C-N-CA 125.893 1.711 . . . . 0.0 112.206 -174.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -66.15 119.22 11.07 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 117.611 0.705 . . . . 0.0 109.175 169.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -151.62 162.87 40.27 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.412 1.485 . . . . 0.0 112.244 -172.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -135.78 127.11 28.39 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.459 1.503 . . . . 0.0 110.762 -174.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.09 146.07 54.82 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.294 1.037 . . . . 0.0 112.895 177.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.4 pt -132.24 170.02 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.635 1.574 . . . . 0.0 111.299 176.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -155.31 165.84 35.39 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.852 1.261 . . . . 0.0 112.585 -179.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.2 mtp-105 -110.44 150.59 28.63 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.385 1.474 . . . . 0.0 110.902 169.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -145.72 167.18 23.77 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.203 2.201 . . . . 0.0 110.429 175.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.8 mm -121.4 135.87 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.024 1.33 . . . . 0.0 109.997 -178.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 4.9 mp -90.4 140.87 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 123.978 0.911 . . . . 0.0 110.634 171.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -102.98 -24.59 13.64 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.6 mm 75.11 129.01 0.03 OUTLIER Pre-proline 0 N--CA 1.486 1.342 0 C-N-CA 128.88 2.872 . . . . 0.0 111.677 177.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -76.01 170.76 19.45 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 123.629 2.886 . . . . 0.0 112.104 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -62.52 -13.34 29.53 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -72.77 -31.1 64.66 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.65 1.18 . . . . 0.0 112.469 170.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -92.1 -45.52 3.83 Favored Glycine 0 N--CA 1.474 1.223 0 C-N-CA 125.474 1.511 . . . . 0.0 112.481 172.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.2 t -84.79 69.05 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.105 1.362 . . . . 0.0 108.342 172.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 74.3 p -111.18 -10.89 14.28 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 -169.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -89.93 153.68 23.23 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 124.31 0.957 . . . . 0.0 113.178 -177.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -70.41 -21.78 29.97 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 123.189 2.593 . . . . 0.0 112.36 176.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 31.7 p -89.94 -1.91 58.06 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.593 1.557 . . . . 0.0 113.468 175.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.6 m -82.33 -3.44 55.39 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 120.819 -1.176 . . . . 0.0 113.986 -176.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.165 0 C-N-CA 125.43 1.491 . . . . 0.0 112.853 178.804 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo . . . . . 0 N--CA 1.48 0.73 0 N-CA-C 113.413 0.505 . . . . 0.0 113.413 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.0 p -162.11 162.75 28.73 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.183 1.393 . . . . 0.0 111.496 -179.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -65.62 -5.97 9.84 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -176.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.04 -11.7 84.16 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.784 1.183 . . . . 0.0 113.649 170.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.9 m -140.3 -35.09 0.51 Allowed 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -177.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.3 m 65.97 7.72 4.89 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 126.614 1.966 . . . . 0.0 115.635 171.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.27 166.38 41.22 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.417 1.484 . . . . 0.0 113.642 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -136.82 160.63 38.31 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.441 1.496 . . . . 0.0 112.34 -169.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.0 tp -155.38 149.73 25.99 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.134 1.774 . . . . 0.0 110.222 -176.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -149.53 168.32 23.84 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.397 1.479 . . . . 0.0 112.124 -176.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -83.15 161.85 56.23 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 126.877 2.071 . . . . 0.0 114.081 -173.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -72.86 178.55 6.27 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 124.08 3.187 . . . . 0.0 112.454 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.3 t -157.97 167.78 28.98 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.473 1.509 . . . . 0.0 112.311 -172.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mp -114.44 -3.32 13.04 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.683 1.993 . . . . 0.0 111.708 -177.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.1 mt -86.44 -173.54 4.58 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.862 1.265 . . . . 0.0 112.422 -178.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.9 m -101.85 157.88 32.84 Favored Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 126.651 1.98 . . . . 0.0 111.812 -178.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -60.62 -25.96 81.9 Favored 'Trans proline' 0 CA--C 1.535 0.529 0 C-N-CA 123.7 2.933 . . . . 0.0 112.981 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -85.27 -11.49 54.64 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.555 1.142 . . . . 0.0 113.907 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -86.47 -51.34 6.26 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.69 1.196 . . . . 0.0 110.683 173.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mt -61.54 -50.57 72.12 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 125.003 1.321 . . . . 0.0 110.742 -176.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -63.66 -14.84 55.69 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 175.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.83 -50.97 5.73 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.299 1.04 . . . . 0.0 111.764 172.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.6 -43.09 32.76 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.325 1.05 . . . . 0.0 113.321 -174.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.2 t -73.65 -28.54 61.83 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.863 0.865 . . . . 0.0 112.507 -176.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -65.98 -26.54 67.6 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.165 0.986 . . . . 0.0 112.28 171.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.78 -66.1 1.7 Allowed Glycine 0 CA--C 1.529 0.951 0 C-N-CA 125.223 1.392 . . . . 0.0 111.312 170.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -161.86 -25.32 0.05 OUTLIER 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.44 -2.35 57.49 Favored Glycine 0 N--CA 1.479 1.507 0 C-N-CA 125.446 1.498 . . . . 0.0 114.472 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.57 -176.97 6.29 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.431 1.492 . . . . 0.0 111.666 169.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -171.96 151.9 2.84 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.812 1.645 . . . . 0.0 112.745 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -156.01 151.39 26.84 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.339 1.456 . . . . 0.0 112.396 177.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 62.4 m95 -97.44 146.8 24.86 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.503 1.121 . . . . 0.0 111.318 171.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -136.67 160.83 37.63 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.955 1.702 . . . . 0.0 111.958 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -138.56 149.22 45.08 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.139 1.776 . . . . 0.0 111.315 174.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -79.67 111.86 16.37 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.671 0.669 . . . . 0.0 110.334 171.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -91.16 -152.1 27.63 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.249 1.404 . . . . 0.0 111.859 170.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -67.18 -41.97 85.01 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.766 0.826 . . . . 0.0 112.862 -178.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -106.73 -9.4 16.47 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 -170.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 153.46 -162.38 30.24 Favored Glycine 0 N--CA 1.473 1.111 0 C-N-CA 125.282 1.42 . . . . 0.0 113.079 178.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -67.99 131.82 46.17 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.824 0.85 . . . . 0.0 112.175 173.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.4 m95 -132.19 141.2 48.99 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.689 1.595 . . . . 0.0 110.684 177.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -77.79 139.37 39.33 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.166 0.586 . . . . 0.0 110.933 -175.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -67.89 153.03 44.6 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 171.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -66.76 152.56 45.28 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.051 0.94 . . . . 0.0 111.34 170.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -69.85 -18.06 63.41 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.749 0.82 . . . . 0.0 113.021 -175.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -82.84 -16.9 45.87 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.916 0.887 . . . . 0.0 112.305 172.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.1 m -100.38 -50.77 3.82 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.774 1.63 . . . . 0.0 111.735 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.6 p -61.02 -27.68 68.5 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -28.98 69.97 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 173.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.09 -39.5 72.09 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.937 0.79 . . . . 0.0 109.712 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.0 mt -70.04 -43.6 70.96 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.982 1.713 . . . . 0.0 110.855 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -57.32 -45.55 84.11 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.587 1.555 . . . . 0.0 111.969 171.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -72.7 -37.43 67.83 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.755 0.822 . . . . 0.0 110.532 -173.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.48 -50.05 71.2 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.396 1.478 . . . . 0.0 114.012 -178.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.14 -21.67 63.99 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.939 0.79 . . . . 0.0 111.659 176.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.6 t -79.19 -32.93 44.25 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.663 1.185 . . . . 0.0 112.865 174.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -72.92 -43.08 62.82 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.247 1.419 . . . . 0.0 111.585 175.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.49 -7.18 8.49 Favored Glycine 0 C--N 1.341 0.815 0 C-N-CA 124.952 1.263 . . . . 0.0 114.129 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -65.26 151.28 46.57 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.174 1.487 . . . . 0.0 112.317 173.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -98.9 -0.14 42.93 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.035 1.334 . . . . 0.0 113.211 -174.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -170.69 145.37 2.48 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.7 2.0 . . . . 0.0 109.592 176.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 t -135.57 177.1 8.08 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.305 1.042 . . . . 0.0 112.279 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -123.01 147.33 46.77 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.658 1.583 . . . . 0.0 111.549 -172.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.2 ptt? -153.67 148.76 26.8 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.147 1.379 . . . . 0.0 111.975 -173.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.67 142.1 35.26 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 125.843 1.657 . . . . 0.0 110.089 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.62 -153.05 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.835 1.254 . . . . 0.0 111.987 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.03 -15.99 16.28 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.4 15.2 0.03 OUTLIER Glycine 0 CA--C 1.535 1.292 0 N-CA-C 116.624 1.41 . . . . 0.0 116.624 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -150.16 152.4 34.62 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.712 1.256 . . . . 0.0 112.297 -169.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.35 125.54 36.14 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.827 1.251 . . . . 0.0 108.362 169.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -116.62 135.79 53.51 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.599 1.16 . . . . 0.0 111.283 170.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.9 t -89.71 121.72 40.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 C-N-CA 125.847 1.659 . . . . 0.0 106.961 171.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.13 118.82 33.48 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.955 1.302 . . . . 0.0 109.451 174.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -90.29 110.88 21.92 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.018 1.727 . . . . 0.0 109.89 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.1 mp -84.51 -6.81 59.4 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.045 1.338 . . . . 0.0 112.371 -176.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -84.09 -53.0 5.84 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.303 0.956 . . . . 0.0 111.576 173.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -95.66 -8.25 35.28 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.039 1.736 . . . . 0.0 112.22 -170.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 6.7 mmt 54.75 58.87 4.46 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.438 1.895 . . . . 0.0 111.656 -173.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.5 m -135.58 175.76 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 124.792 1.237 . . . . 0.0 111.114 173.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.98 147.23 28.33 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.752 1.221 . . . . 0.0 111.577 173.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -158.33 158.36 34.18 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.992 1.717 . . . . 0.0 111.985 -171.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.4 ttt-85 -66.76 152.26 45.84 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 120.989 -1.069 . . . . 0.0 110.872 169.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.6 mtp85 -51.81 -31.05 25.79 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 -172.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -98.43 -2.08 39.91 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 125.024 1.33 . . . . 0.0 114.267 178.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -102.98 147.28 27.14 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.012 2.125 . . . . 0.0 111.634 -169.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 28.6 p80 -149.06 -33.49 0.21 Allowed 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 174.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.51 -8.24 87.12 Favored Glycine 0 N--CA 1.476 1.334 0 C-N-CA 124.545 1.069 . . . . 0.0 115.006 -178.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.11 17.35 10.8 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.236 1.814 . . . . 0.0 112.716 -177.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 35.8 ptt-85 -54.25 139.85 34.75 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.464 1.506 . . . . 0.0 112.773 177.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -105.65 139.33 40.4 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.092 1.757 . . . . 0.0 109.827 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -65.62 146.06 55.28 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 175.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.4 pt -125.94 167.21 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.456 1.502 . . . . 0.0 109.876 167.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -155.86 170.1 22.89 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.738 1.215 . . . . 0.0 112.313 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -114.72 138.94 50.11 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.648 1.579 . . . . 0.0 109.099 168.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.92 -177.39 5.19 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.304 1.842 . . . . 0.0 111.273 -175.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.5 mm -129.51 137.98 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 125.368 1.467 . . . . 0.0 110.858 -173.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.1 mp -91.49 140.58 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.441 1.096 . . . . 0.0 110.62 170.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -99.26 -23.7 15.1 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.5 mm 73.58 129.74 0.04 OUTLIER Pre-proline 0 N--CA 1.488 1.436 0 C-N-CA 128.726 2.81 . . . . 0.0 112.46 174.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -77.27 170.12 20.1 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 124.022 3.148 . . . . 0.0 111.904 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -58.51 -23.24 57.61 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -57.39 -18.22 16.65 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.582 1.553 . . . . 0.0 113.593 173.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -74.36 -8.7 80.52 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.735 1.635 . . . . 0.0 115.63 173.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.1 p -52.86 137.44 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 CA-C-N 118.765 1.283 . . . . 0.0 111.898 176.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.8 m -144.53 160.68 40.73 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.222 1.409 . . . . 0.0 111.928 -172.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -76.28 175.4 52.77 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 124.351 0.977 . . . . 0.0 114.253 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -76.28 -4.72 15.42 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 124.315 3.343 . . . . 0.0 114.291 -174.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.3 m -65.4 -5.88 8.75 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -177.094 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 61.8 p -79.91 -9.35 59.67 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.337 1.455 . . . . 0.0 114.064 174.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.171 0 C-N-CA 124.997 1.284 . . . . 0.0 113.339 178.558 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo . . . . . 0 CA--C 1.54 0.824 0 N-CA-C 113.552 0.559 . . . . 0.0 113.552 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.6 m 72.58 157.74 0.19 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 127.288 2.235 . . . . 0.0 114.202 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 m -74.63 156.7 36.45 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.58 1.152 . . . . 0.0 113.479 -177.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.76 -5.79 73.31 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 124.974 1.273 . . . . 0.0 115.294 173.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 m 69.41 -12.39 0.43 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 127.238 2.215 . . . . 0.0 116.236 169.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t 72.72 -22.74 0.22 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 127.901 2.48 . . . . 0.0 115.406 172.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.94 158.63 47.37 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 125.382 1.468 . . . . 0.0 114.489 -177.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -77.81 152.73 33.35 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.236 1.014 . . . . 0.0 112.901 -175.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.3 mp -85.18 158.67 20.31 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.106 1.363 . . . . 0.0 111.365 177.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -68.08 135.68 52.59 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.443 1.097 . . . . 0.0 111.995 176.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -100.83 157.22 34.09 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 125.179 1.392 . . . . 0.0 113.41 -177.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -76.18 178.29 7.68 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 124.319 3.346 . . . . 0.0 112.746 -177.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.6 t -157.18 162.07 39.32 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 126.644 1.977 . . . . 0.0 110.254 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mt -95.61 -17.69 21.16 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.87 1.668 . . . . 0.0 111.367 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.0 mt -81.78 -177.83 6.72 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 122.929 1.347 . . . . 0.0 113.035 -175.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 m -102.6 159.36 29.58 Favored Pre-proline 0 CA--C 1.541 0.627 0 C-N-CA 126.931 2.093 . . . . 0.0 111.972 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -60.55 -25.26 80.32 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 124.129 3.22 . . . . 0.0 113.096 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -85.55 -11.18 54.72 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.517 1.127 . . . . 0.0 114.026 176.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -87.71 -51.66 5.75 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.832 1.253 . . . . 0.0 111.168 174.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.4 mt -60.86 -46.76 89.3 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.787 1.635 . . . . 0.0 110.786 -176.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -63.63 -38.51 91.4 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 172.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.32 -22.88 63.74 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.62 -27.57 64.82 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.933 0.788 . . . . 0.0 113.118 170.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.6 t -98.88 -55.7 2.64 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.078 0.951 . . . . 0.0 111.543 175.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -67.78 -13.89 62.5 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.887 1.675 . . . . 0.0 114.911 -174.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.33 -16.98 69.88 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.362 1.458 . . . . 0.0 114.429 176.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -144.32 -35.81 0.34 Allowed 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 170.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.3 9.89 72.11 Favored Glycine 0 CA--C 1.535 1.309 0 O-C-N 121.186 -0.946 . . . . 0.0 114.763 172.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.8 -176.6 3.42 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.506 1.522 . . . . 0.0 111.748 169.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -170.17 152.34 4.18 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.309 1.444 . . . . 0.0 112.417 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -153.4 157.37 39.86 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.925 1.69 . . . . 0.0 110.331 176.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -118.0 146.7 43.84 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 124.544 1.138 . . . . 0.0 109.737 172.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -135.91 156.37 48.88 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.745 1.218 . . . . 0.0 111.574 -178.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -136.89 148.25 46.94 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.507 1.523 . . . . 0.0 111.314 175.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -79.19 108.7 12.89 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 122.048 -0.407 . . . . 0.0 110.333 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -91.72 -150.4 25.47 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.282 1.42 . . . . 0.0 112.243 173.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -63.59 -43.89 95.62 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.946 0.898 . . . . 0.0 112.728 -178.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -111.42 -14.92 13.67 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 -169.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 162.17 -160.51 32.63 Favored Glycine 0 N--CA 1.473 1.148 0 C-N-CA 125.039 1.304 . . . . 0.0 113.293 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -67.74 130.81 44.16 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.915 0.886 . . . . 0.0 112.359 173.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -130.71 141.05 50.38 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.564 1.546 . . . . 0.0 110.113 176.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -82.37 138.69 34.41 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.458 0.703 . . . . 0.0 111.107 -171.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -66.77 153.67 42.73 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.659 0.784 . . . . 0.0 112.583 169.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -64.31 150.41 46.17 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.858 0.863 . . . . 0.0 111.74 172.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -64.98 -24.38 67.5 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -174.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -83.19 -16.47 46.46 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.456 0.702 . . . . 0.0 111.814 175.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.2 m -95.93 -51.56 4.41 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.564 1.545 . . . . 0.0 111.667 178.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.2 p -61.13 -30.52 70.43 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.472 -0.768 . . . . 0.0 113.05 -177.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -25.76 68.5 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 174.114 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -76.92 -40.01 48.74 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.532 0.605 . . . . 0.0 109.728 178.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.2 mt -65.68 -44.71 85.39 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.474 1.51 . . . . 0.0 110.668 176.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -62.31 -30.12 70.92 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.198 1.399 . . . . 0.0 112.77 175.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -81.82 -29.71 32.5 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.21 -0.931 . . . . 0.0 111.362 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.78 -45.74 73.99 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -173.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -70.84 -18.57 62.71 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.661 0.664 . . . . 0.0 111.966 174.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.7 t -83.11 -32.19 26.85 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.739 1.216 . . . . 0.0 112.395 175.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -73.23 -42.45 62.57 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.995 1.318 . . . . 0.0 111.754 174.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.35 -7.14 9.15 Favored Glycine 0 C--N 1.343 0.919 0 C-N-CA 124.946 1.26 . . . . 0.0 114.025 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -65.87 151.75 46.0 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.094 1.447 . . . . 0.0 112.626 174.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -95.85 -5.21 42.19 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.262 1.425 . . . . 0.0 113.283 -175.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -168.48 143.61 3.47 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.56 1.944 . . . . 0.0 109.71 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 t -132.0 172.1 12.77 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.144 0.977 . . . . 0.0 112.332 176.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -120.19 146.12 46.32 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 126.042 1.737 . . . . 0.0 111.262 -173.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.5 ptt? -152.05 147.83 26.97 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.872 1.269 . . . . 0.0 112.374 -173.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.77 142.75 33.38 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.79 1.636 . . . . 0.0 110.169 177.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.87 -151.87 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.075 1.35 . . . . 0.0 111.897 -179.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.23 -17.17 25.64 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 115.516 1.673 . . . . 0.0 115.516 178.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.56 15.7 0.03 OUTLIER Glycine 0 CA--C 1.534 1.241 0 N-CA-C 116.586 1.395 . . . . 0.0 116.586 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -149.9 152.86 35.74 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.79 1.295 . . . . 0.0 112.303 -169.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.52 124.5 37.56 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.633 1.173 . . . . 0.0 108.102 169.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -114.74 136.75 52.73 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.854 1.262 . . . . 0.0 111.294 171.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.2 t -90.34 122.25 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 170.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.42 109.48 21.66 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.53 1.132 . . . . 0.0 108.702 170.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -86.62 121.7 29.51 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.701 1.201 . . . . 0.0 109.943 174.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.4 mp -88.76 -13.32 39.8 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.017 1.327 . . . . 0.0 112.581 -173.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -86.32 -40.72 15.19 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.757 1.223 . . . . 0.0 112.355 -176.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -96.62 -11.72 24.89 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.819 1.648 . . . . 0.0 111.318 175.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 54.82 67.47 1.01 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.775 2.03 . . . . 0.0 111.361 -172.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.6 m -142.89 165.99 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.935 0.894 . . . . 0.0 112.316 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -121.66 149.77 42.72 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.343 1.457 . . . . 0.0 111.245 170.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -164.63 161.03 20.68 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.018 1.727 . . . . 0.0 112.438 175.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -70.61 150.88 45.58 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 121.067 -1.02 . . . . 0.0 110.384 169.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.0 mtp-105 -55.33 -24.7 30.36 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 -171.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -98.17 -2.07 40.72 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 126.292 1.837 . . . . 0.0 114.821 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -124.0 156.16 36.95 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.538 1.535 . . . . 0.0 112.718 -168.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -150.62 -30.75 0.19 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.032 1.333 . . . . 0.0 113.632 176.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.61 -10.93 83.06 Favored Glycine 0 N--CA 1.475 1.266 0 O-C-N 120.895 -1.128 . . . . 0.0 114.9 -173.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -121.32 15.92 11.37 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.181 1.792 . . . . 0.0 112.234 -178.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 35.3 ptt-85 -51.15 146.16 6.89 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.236 1.814 . . . . 0.0 113.296 176.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -113.33 140.67 47.83 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.318 1.447 . . . . 0.0 110.516 176.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -65.52 142.22 58.2 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.513 1.125 . . . . 0.0 113.155 177.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.5 pt -124.71 169.1 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.071 1.348 . . . . 0.0 110.614 169.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.9 pttt -155.82 165.73 35.63 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.274 1.43 . . . . 0.0 112.946 174.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.1 mtp-105 -99.98 152.06 20.62 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.005 1.322 . . . . 0.0 109.288 165.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -152.3 178.33 9.63 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.273 1.429 . . . . 0.0 111.37 173.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.0 mm -130.5 139.15 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 125.331 1.452 . . . . 0.0 110.363 -174.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.0 mp -92.98 140.97 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.079 0.952 . . . . 0.0 110.524 171.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -105.86 -18.94 13.89 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.4 mm 76.52 127.57 0.03 OUTLIER Pre-proline 0 N--CA 1.486 1.357 0 C-N-CA 129.192 2.997 . . . . 0.0 111.843 176.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -77.89 169.62 20.3 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 123.883 3.055 . . . . 0.0 111.778 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -58.1 -29.55 65.57 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 176.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -59.36 -21.22 59.52 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.257 1.423 . . . . 0.0 113.72 174.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -83.93 -8.8 83.63 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.597 1.57 . . . . 0.0 114.998 174.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 44.4 t -95.0 127.62 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.433 1.493 . . . . 0.0 109.085 178.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 87.8 p -164.48 172.67 13.03 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.989 1.315 . . . . 0.0 112.351 -174.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 98.41 175.22 32.78 Favored Glycine 0 CA--C 1.54 1.648 0 C-N-CA 125.229 1.395 . . . . 0.0 113.849 -178.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -75.14 155.83 42.29 Favored 'Trans proline' 0 CA--C 1.536 0.576 0 C-N-CA 124.133 3.222 . . . . 0.0 112.06 -176.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 58.6 p -161.79 -89.43 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.721 1.208 . . . . 0.0 111.375 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 77.2 p -168.85 -26.47 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.838 1.655 . . . . 0.0 114.146 -177.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.22 0 CA-C-O 118.267 -1.296 . . . . 0.0 113.054 178.962 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo . . . . . 0 CA--C 1.541 0.861 0 N-CA-C 113.156 0.406 . . . . 0.0 113.156 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 m -66.05 -16.88 64.31 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 p -86.28 -1.34 57.4 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.299 1.84 . . . . 0.0 113.743 172.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.84 161.67 11.14 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 126.404 1.954 . . . . 0.0 113.028 -175.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.3 m -146.38 150.53 35.86 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.636 1.574 . . . . 0.0 110.987 -176.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.7 p -162.83 165.28 25.5 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.829 1.252 . . . . 0.0 112.154 -179.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.9 162.6 30.13 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.246 1.403 . . . . 0.0 113.06 177.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -104.87 162.54 13.24 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.515 1.526 . . . . 0.0 112.815 -177.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.4 tp -157.58 145.85 19.15 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.478 1.911 . . . . 0.0 109.717 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -151.55 168.71 24.06 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.952 1.301 . . . . 0.0 112.037 -176.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -89.88 161.95 37.04 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 126.769 2.027 . . . . 0.0 113.648 -175.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -72.35 177.01 7.84 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 123.964 3.109 . . . . 0.0 112.377 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.4 t -155.11 164.66 38.55 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.615 1.566 . . . . 0.0 112.174 -173.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mp -109.68 -3.14 17.0 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.464 1.906 . . . . 0.0 111.805 -177.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.3 mt -86.91 -177.25 6.03 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.065 1.346 . . . . 0.0 112.521 -176.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 m -95.74 158.34 34.51 Favored Pre-proline 0 CA--C 1.538 0.494 0 C-N-CA 126.236 1.815 . . . . 0.0 111.711 175.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -57.69 -30.37 88.71 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 123.263 2.642 . . . . 0.0 112.074 174.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -78.37 -12.79 60.03 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.745 1.218 . . . . 0.0 113.474 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -88.19 -50.99 6.02 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 125.145 1.378 . . . . 0.0 110.525 174.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 mt -63.04 -49.11 75.88 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.08 1.352 . . . . 0.0 110.684 -177.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -65.65 -11.93 49.02 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.139 1.162 . . . . 0.0 114.139 175.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.32 -54.24 3.89 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.294 1.037 . . . . 0.0 112.068 171.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.34 -43.69 12.68 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.217 1.007 . . . . 0.0 113.64 -172.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.3 t -78.71 -25.42 44.7 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.685 0.794 . . . . 0.0 112.395 -177.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -69.28 -26.28 64.67 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.974 0.91 . . . . 0.0 112.009 169.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.52 -65.32 1.79 Allowed Glycine 0 CA--C 1.529 0.91 0 C-N-CA 125.424 1.488 . . . . 0.0 111.507 173.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -159.08 -24.69 0.07 Allowed 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.12 -3.25 60.08 Favored Glycine 0 N--CA 1.475 1.246 0 C-N-CA 125.42 1.486 . . . . 0.0 114.14 -178.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.71 178.42 7.03 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.163 1.385 . . . . 0.0 111.862 169.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -171.39 152.13 3.22 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.807 1.643 . . . . 0.0 112.755 178.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -154.92 146.29 22.99 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.26 1.424 . . . . 0.0 112.112 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.1 m95 -92.05 146.67 23.54 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.443 1.097 . . . . 0.0 112.043 173.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -138.22 157.45 46.25 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.737 1.615 . . . . 0.0 112.258 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -138.78 149.49 45.05 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.014 1.725 . . . . 0.0 111.159 174.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -78.87 118.68 21.13 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.461 0.573 . . . . 0.0 110.662 171.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.99 -154.6 27.77 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 125.203 1.382 . . . . 0.0 111.334 169.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -64.08 -42.83 96.83 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.206 1.002 . . . . 0.0 113.155 -178.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -106.6 -7.26 17.49 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 -170.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 151.69 -162.16 29.54 Favored Glycine 0 N--CA 1.473 1.121 0 C-N-CA 125.245 1.403 . . . . 0.0 113.165 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -70.56 133.36 46.67 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.946 0.899 . . . . 0.0 111.888 173.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.8 m95 -132.3 141.44 48.98 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.562 1.545 . . . . 0.0 110.75 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -80.43 140.54 35.94 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.652 0.781 . . . . 0.0 110.859 -174.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -70.21 156.65 38.94 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 173.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -76.23 156.11 33.84 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.975 0.91 . . . . 0.0 110.953 170.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -68.54 -19.59 64.51 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.419 1.087 . . . . 0.0 113.792 -177.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -67.49 -33.52 75.28 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.81 0.844 . . . . 0.0 111.734 170.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.6 m -95.33 -52.0 4.35 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 127.169 2.188 . . . . 0.0 112.454 -171.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.3 p -61.07 -27.97 68.74 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.099 0.863 . . . . 0.0 113.168 -176.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -29.23 68.0 Favored 'General case' 0 C--N 1.345 0.386 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 173.147 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -72.6 -32.95 66.37 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.859 0.754 . . . . 0.0 110.693 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 39.0 mt -81.97 -44.49 16.65 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.703 1.601 . . . . 0.0 111.437 -172.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -67.39 -24.5 65.68 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 175.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -83.12 -36.24 24.96 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.459 1.104 . . . . 0.0 111.089 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.39 82.03 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.841 1.257 . . . . 0.0 113.993 -176.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -68.88 -21.49 64.24 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.957 0.799 . . . . 0.0 112.416 175.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.2 t -80.44 -29.76 37.58 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.617 1.167 . . . . 0.0 112.538 175.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -76.83 -41.9 42.43 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.925 1.29 . . . . 0.0 111.96 175.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 122.92 -7.47 9.37 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 125.097 1.332 . . . . 0.0 114.064 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -65.68 151.29 46.88 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.947 1.373 . . . . 0.0 112.322 172.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.6 pttp -99.11 0.26 43.19 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.953 1.301 . . . . 0.0 113.483 -177.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -171.39 153.42 3.56 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.686 1.995 . . . . 0.0 109.915 177.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.5 t -147.03 172.4 13.79 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.548 1.539 . . . . 0.0 111.271 -172.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -121.31 148.34 44.46 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.21 1.404 . . . . 0.0 111.821 -171.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -153.95 147.45 25.05 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.184 1.394 . . . . 0.0 112.02 -174.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.31 142.56 33.99 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.811 1.644 . . . . 0.0 109.929 176.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -121.67 -153.25 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.688 1.195 . . . . 0.0 111.87 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.87 -15.81 14.39 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 115.577 1.695 . . . . 0.0 115.577 177.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.85 16.36 0.03 OUTLIER Glycine 0 CA--C 1.534 1.232 0 N-CA-C 116.922 1.529 . . . . 0.0 116.922 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -149.77 152.52 35.37 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.746 1.273 . . . . 0.0 111.991 -169.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.96 124.86 38.24 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 169.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -117.8 139.17 51.45 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.621 1.168 . . . . 0.0 111.585 172.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.2 t -94.02 119.44 41.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 126.467 1.907 . . . . 0.0 107.075 173.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.73 126.08 39.81 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.103 1.361 . . . . 0.0 109.772 174.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -108.53 111.75 23.76 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.338 1.855 . . . . 0.0 110.234 -169.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 31.6 mt -78.19 -17.49 56.71 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.8 1.24 . . . . 0.0 113.222 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -71.97 -51.68 20.79 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.969 0.908 . . . . 0.0 111.867 -178.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -102.6 -10.16 19.51 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.45 1.9 . . . . 0.0 112.023 -175.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 57.01 64.89 1.52 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.828 2.051 . . . . 0.0 111.479 -174.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.0 m -143.43 176.1 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 126.418 1.887 . . . . 0.0 110.622 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.454 ' NE2' HN61 ' A' ' 201' ' ' ATP . 3.1 pp0? -149.34 147.49 28.39 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.295 1.038 . . . . 0.0 112.104 173.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -158.33 165.16 35.43 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.322 1.849 . . . . 0.0 112.976 -169.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -71.57 148.13 46.95 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 120.757 -1.214 . . . . 0.0 111.857 170.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -50.63 -33.84 23.91 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.528 1.131 . . . . 0.0 113.627 174.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -88.64 -12.06 43.62 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -172.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -159.4 111.69 2.14 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 122.437 1.113 . . . . 0.0 112.067 -173.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.6 p-80 -84.66 -18.02 36.7 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.817 1.247 . . . . 0.0 113.517 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.21 -12.75 72.65 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 125.203 1.382 . . . . 0.0 114.476 -178.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -94.6 9.59 38.08 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.646 1.578 . . . . 0.0 113.517 174.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -56.49 142.82 37.49 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -173.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -123.13 145.59 48.46 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.466 1.906 . . . . 0.0 109.97 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -65.04 146.2 55.33 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.729 1.212 . . . . 0.0 114.076 -178.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 14.3 pt -129.12 163.83 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.162 1.385 . . . . 0.0 110.526 168.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 48.2 pttt -155.46 171.61 19.62 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.234 1.414 . . . . 0.0 112.269 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 58.2 mtm180 -115.51 142.29 46.92 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.05 1.34 . . . . 0.0 109.05 167.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -138.47 -179.14 5.63 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.225 1.81 . . . . 0.0 111.019 -179.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.7 mm -128.26 137.36 57.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.857 1.263 . . . . 0.0 110.851 -172.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.0 mp -90.78 140.01 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 124.346 1.058 . . . . 0.0 110.465 170.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -101.93 -22.81 14.24 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 23.0 mm 73.51 127.32 0.03 OUTLIER Pre-proline 0 N--CA 1.487 1.38 0 C-N-CA 128.8 2.84 . . . . 0.0 112.127 177.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -78.37 164.59 26.34 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.911 3.074 . . . . 0.0 111.768 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -60.49 -29.44 69.08 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 174.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -58.6 -21.35 53.09 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.709 1.604 . . . . 0.0 113.574 173.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -84.17 -8.79 83.25 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.449 1.499 . . . . 0.0 115.191 175.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 48.8 t -85.54 104.64 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 CA-C-N 118.515 1.157 . . . . 0.0 109.105 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 62.0 m -155.36 154.03 31.38 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.097 1.759 . . . . 0.0 110.946 -173.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -75.54 153.12 43.93 Favored Glycine 0 CA--C 1.542 1.766 0 CA-C-O 119.048 -0.862 . . . . 0.0 112.76 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -75.94 159.12 38.2 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 123.843 3.029 . . . . 0.0 111.798 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 54.4 p -83.68 -2.75 56.86 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.751 1.22 . . . . 0.0 114.163 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.0 t -163.99 164.94 22.99 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 126.149 1.78 . . . . 0.0 111.283 -177.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.208 0 C-N-CA 125.187 1.375 . . . . 0.0 112.885 -178.307 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ATP . . . . . 0.454 HN61 ' NE2' ' A' ' 80' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo . . . . . 0 CA--C 1.54 0.783 0 N-CA-C 113.409 0.504 . . . . 0.0 113.409 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -81.25 -16.68 51.91 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -176.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.1 m 65.84 3.25 2.47 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 126.919 2.088 . . . . 0.0 115.327 174.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.13 -159.88 25.01 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 126.166 1.841 . . . . 0.0 112.815 -177.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.4 m -143.7 152.29 41.13 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.094 1.358 . . . . 0.0 111.292 -175.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.5 p -83.07 0.6 44.22 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 -177.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.03 171.28 55.05 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.996 1.284 . . . . 0.0 113.903 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -74.39 176.13 7.04 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.199 1.4 . . . . 0.0 112.586 175.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.7 tp -146.39 139.84 25.9 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.606 1.563 . . . . 0.0 109.986 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -149.43 167.51 26.0 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.574 1.95 . . . . 0.0 110.904 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -122.41 158.46 56.0 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 125.762 1.625 . . . . 0.0 112.775 -177.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -70.36 172.91 12.32 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 124.195 3.264 . . . . 0.0 113.095 -172.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.1 t -168.79 174.47 6.53 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 126.972 2.109 . . . . 0.0 110.185 -168.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mt -102.76 -17.71 15.47 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.281 1.832 . . . . 0.0 111.604 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.7 mt -76.49 178.62 6.47 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 122.962 1.363 . . . . 0.0 113.085 -178.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.0 m -88.06 155.68 52.25 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 126.499 1.92 . . . . 0.0 111.78 175.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -61.94 -21.25 71.95 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 123.914 3.076 . . . . 0.0 113.039 177.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -80.97 -32.77 34.26 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.315 1.046 . . . . 0.0 112.241 177.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -68.18 -48.8 64.29 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.918 1.287 . . . . 0.0 111.626 -176.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 mt -65.17 -46.53 80.47 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.811 1.644 . . . . 0.0 110.113 -177.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -61.34 -40.42 94.18 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.541 0.736 . . . . 0.0 112.193 173.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.32 -42.16 84.08 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.604 1.093 . . . . 0.0 112.515 176.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.21 -38.71 90.21 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.289 1.036 . . . . 0.0 112.602 176.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -76.42 -55.5 5.48 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.577 0.751 . . . . 0.0 112.268 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -66.13 -26.52 67.48 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.091 1.356 . . . . 0.0 113.485 -175.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.65 -15.89 64.83 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 124.937 1.256 . . . . 0.0 114.315 176.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -122.11 -65.09 1.15 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.167 1.387 . . . . 0.0 112.264 173.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.93 -1.15 70.41 Favored Glycine 0 N--CA 1.476 1.321 0 C-N-CA 124.541 1.067 . . . . 0.0 112.971 -173.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -69.1 176.14 3.39 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.657 1.983 . . . . 0.0 112.098 169.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -170.58 151.74 3.68 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.624 1.569 . . . . 0.0 112.934 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -150.77 159.32 44.61 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.548 1.539 . . . . 0.0 110.998 176.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 45.3 m95 -123.51 146.75 47.84 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 124.948 1.299 . . . . 0.0 109.865 170.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -134.87 158.3 44.6 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.808 1.243 . . . . 0.0 111.651 -178.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -139.48 153.07 47.45 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.117 1.767 . . . . 0.0 110.646 176.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -78.92 108.05 12.1 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.418 0.554 . . . . 0.0 110.618 171.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.51 -154.36 30.94 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 125.937 1.732 . . . . 0.0 112.779 175.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -55.37 -48.05 74.88 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.002 1.321 . . . . 0.0 112.918 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -114.54 -11.48 12.41 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -169.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 161.02 -160.93 32.49 Favored Glycine 0 N--CA 1.473 1.13 0 C-N-CA 124.922 1.249 . . . . 0.0 113.238 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -66.63 127.52 32.72 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.897 0.879 . . . . 0.0 112.205 174.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -130.35 143.53 50.83 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.989 1.316 . . . . 0.0 110.864 175.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -80.79 138.87 36.27 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.381 0.672 . . . . 0.0 110.846 -175.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -67.0 156.78 35.1 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.43 0.692 . . . . 0.0 112.71 170.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -71.59 156.07 39.82 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.281 0.633 . . . . 0.0 110.967 171.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.72 -20.06 65.21 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.326 1.05 . . . . 0.0 113.685 -176.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -67.05 -35.33 79.63 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.808 0.843 . . . . 0.0 111.602 170.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.9 m -94.81 -49.59 5.52 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 126.795 2.038 . . . . 0.0 112.514 -170.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 94.3 p -63.3 -27.41 69.31 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 -175.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -29.63 70.79 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.927 -0.483 . . . . 0.0 112.256 173.021 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.35 -37.23 74.6 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.204 0.911 . . . . 0.0 110.042 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.8 mt -71.43 -45.29 63.07 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.821 1.648 . . . . 0.0 110.834 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -60.84 -39.4 88.94 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.58 1.152 . . . . 0.0 112.532 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -73.91 -36.91 64.77 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 121.672 0.749 . . . . 0.0 110.368 -174.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.09 -50.28 72.55 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.675 1.59 . . . . 0.0 114.124 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -70.2 -18.15 63.17 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.965 0.802 . . . . 0.0 111.968 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.3 t -84.1 -30.21 26.15 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.035 1.334 . . . . 0.0 112.716 175.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -74.57 -43.35 56.12 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.115 1.366 . . . . 0.0 111.539 175.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.49 -7.28 8.48 Favored Glycine 0 C--N 1.34 0.793 0 C-N-CA 124.757 1.17 . . . . 0.0 114.274 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -65.26 150.9 47.44 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.113 1.457 . . . . 0.0 112.172 173.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -98.46 -1.76 40.59 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.084 1.354 . . . . 0.0 113.067 -174.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -169.55 146.89 3.45 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.498 1.919 . . . . 0.0 109.974 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 t -137.57 179.24 6.53 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.74 1.216 . . . . 0.0 112.091 178.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -124.19 149.7 46.06 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.725 1.61 . . . . 0.0 112.187 -172.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.3 ptt? -157.17 148.62 22.13 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.16 1.384 . . . . 0.0 112.434 -174.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.09 144.54 31.16 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.086 1.754 . . . . 0.0 110.147 177.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.84 -151.71 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.851 1.26 . . . . 0.0 112.196 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.58 -17.48 22.17 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.95 17.18 0.03 OUTLIER Glycine 0 CA--C 1.532 1.121 0 N-CA-C 116.633 1.413 . . . . 0.0 116.633 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -149.69 150.98 32.93 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.779 1.289 . . . . 0.0 112.221 -170.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.15 124.57 35.47 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 168.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -114.3 134.38 54.99 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.52 1.128 . . . . 0.0 111.617 171.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 32.3 t -87.1 116.71 29.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 169.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.85 112.31 23.1 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.699 1.2 . . . . 0.0 108.913 173.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -87.65 111.57 21.42 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.184 1.394 . . . . 0.0 110.152 177.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.8 mp -81.41 -18.74 44.37 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.521 1.128 . . . . 0.0 111.74 -178.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -62.71 -52.73 62.11 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.872 0.869 . . . . 0.0 112.435 176.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -103.68 -5.12 22.9 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.355 1.462 . . . . 0.0 112.313 -174.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.4 mmt 56.34 59.09 3.82 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.151 1.78 . . . . 0.0 111.006 -171.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.43 176.09 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 124.708 1.203 . . . . 0.0 110.431 174.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.51 158.78 43.39 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 124.626 1.17 . . . . 0.0 110.737 171.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -166.67 165.06 16.75 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.953 1.701 . . . . 0.0 112.514 -175.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 -71.57 153.29 42.25 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.062 -1.024 . . . . 0.0 111.793 173.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 62.3 mtp85 -58.33 -23.11 55.62 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 171.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -67.16 -34.6 77.89 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.745 1.218 . . . . 0.0 113.687 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -168.1 141.65 3.27 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.096 1.358 . . . . 0.0 112.167 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -76.5 -11.44 59.88 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.742 1.217 . . . . 0.0 113.658 169.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -54.59 -63.21 5.42 Favored Glycine 0 N--CA 1.471 1.022 0 C-N-CA 126.928 2.204 . . . . 0.0 112.369 -176.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.59 95.33 4.53 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.019 0.91 . . . . 0.0 108.89 168.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.9 ptt-85 -118.56 156.6 28.87 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.406 1.482 . . . . 0.0 112.067 172.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -134.88 141.21 46.28 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 126.243 1.817 . . . . 0.0 109.355 -176.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -67.94 141.43 56.33 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.7 pt -124.87 170.52 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.539 1.536 . . . . 0.0 109.991 169.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 43.6 pttt -155.23 165.58 36.21 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.707 1.203 . . . . 0.0 112.932 173.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -102.97 149.09 24.88 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.715 2.006 . . . . 0.0 109.547 168.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -152.83 177.95 10.18 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.657 1.183 . . . . 0.0 112.237 176.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.3 mm -131.25 137.84 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 126.182 1.793 . . . . 0.0 109.382 -178.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.4 mp -87.05 143.65 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 123.722 0.809 . . . . 0.0 110.519 174.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -95.24 -29.32 14.57 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 23.5 mm 73.64 127.33 0.03 OUTLIER Pre-proline 0 N--CA 1.484 1.257 0 C-N-CA 128.871 2.868 . . . . 0.0 112.109 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -77.43 163.4 29.85 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.832 3.021 . . . . 0.0 111.635 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -59.51 -32.88 70.69 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 176.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -59.62 -22.63 62.11 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.531 1.532 . . . . 0.0 113.478 174.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.84 -8.74 79.09 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.638 1.589 . . . . 0.0 115.205 176.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 55.3 t -85.98 111.71 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 118.532 1.166 . . . . 0.0 109.41 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.3 m -166.22 153.0 9.39 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 127.19 2.196 . . . . 0.0 110.416 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -78.79 152.88 37.6 Favored Glycine 0 CA--C 1.542 1.761 0 CA-C-O 119.02 -0.878 . . . . 0.0 112.76 176.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -75.98 156.4 38.67 Favored 'Trans proline' 0 CA--C 1.535 0.56 0 C-N-CA 123.853 3.035 . . . . 0.0 111.571 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.7 m -67.37 -9.53 42.29 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.2 m -77.93 -8.17 57.76 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.396 1.478 . . . . 0.0 114.146 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.125 0 CA-C-O 118.222 -1.321 . . . . 0.0 113.337 179.811 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo . . . . . 0 CA--C 1.539 0.766 0 N-CA-C 113.465 0.525 . . . . 0.0 113.465 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -163.21 169.01 19.89 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.517 1.527 . . . . 0.0 111.061 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -167.5 152.67 7.16 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.926 2.09 . . . . 0.0 111.124 -178.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.84 173.68 50.93 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.481 1.039 . . . . 0.0 113.245 175.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.8 m -86.87 115.68 24.45 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.72 0.808 . . . . 0.0 110.815 176.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.2 p -91.94 -4.4 54.7 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -173.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.49 168.99 27.8 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 125.524 1.535 . . . . 0.0 113.647 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -76.2 159.16 30.92 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.695 1.198 . . . . 0.0 112.513 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.6 tp -155.98 155.71 33.23 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.848 1.659 . . . . 0.0 110.57 -176.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -134.0 156.61 47.88 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.955 1.702 . . . . 0.0 111.629 -178.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -131.88 159.48 71.84 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 126.543 1.937 . . . . 0.0 111.726 -179.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -70.73 171.0 16.37 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.892 3.061 . . . . 0.0 112.724 -173.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.3 t -169.02 169.76 9.33 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 126.978 2.111 . . . . 0.0 110.447 -169.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 mt -99.04 -16.13 18.79 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.327 1.851 . . . . 0.0 111.566 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.5 mt -82.31 179.35 7.83 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 122.981 1.372 . . . . 0.0 113.359 -175.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.8 m -89.34 155.8 48.72 Favored Pre-proline 0 CA--C 1.541 0.603 0 C-N-CA 126.817 2.047 . . . . 0.0 112.229 176.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -63.62 -16.55 55.34 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 124.21 3.273 . . . . 0.0 113.483 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -87.67 -30.35 20.47 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.503 1.121 . . . . 0.0 112.362 176.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -68.5 -48.65 63.85 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.866 1.267 . . . . 0.0 111.609 -176.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mt -64.45 -45.56 86.93 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.833 1.653 . . . . 0.0 109.895 -177.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.89 -42.16 98.74 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.397 1.079 . . . . 0.0 111.849 173.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.45 -40.9 85.4 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.108 0.867 . . . . 0.0 112.492 177.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.1 -42.6 99.63 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.278 1.031 . . . . 0.0 112.201 175.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.3 t -70.45 -43.03 70.69 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.591 0.757 . . . . 0.0 112.6 178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -73.06 -26.36 61.26 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.509 1.123 . . . . 0.0 113.399 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.97 -28.47 73.55 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 124.936 1.255 . . . . 0.0 114.931 -172.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -157.07 -36.43 0.08 Allowed 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 171.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.28 5.9 65.12 Favored Glycine 0 N--CA 1.478 1.448 0 C-N-CA 124.381 0.991 . . . . 0.0 114.886 176.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.25 -177.13 5.53 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.306 1.442 . . . . 0.0 111.55 169.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.0 p90 -171.18 152.03 3.32 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.634 1.574 . . . . 0.0 112.172 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -152.94 155.17 36.48 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.503 1.521 . . . . 0.0 110.872 176.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 27.5 m95 -117.97 145.97 44.33 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.806 1.243 . . . . 0.0 109.493 173.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -134.22 154.89 50.99 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.208 1.403 . . . . 0.0 111.398 -175.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -136.34 150.13 48.7 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.876 1.671 . . . . 0.0 110.968 177.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -74.6 117.45 16.45 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.574 0.624 . . . . 0.0 110.937 172.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.13 -159.56 33.35 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 125.501 1.524 . . . . 0.0 112.155 169.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -67.17 -28.85 68.45 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.207 1.003 . . . . 0.0 113.573 -178.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -134.45 -3.13 2.7 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 117.533 2.419 . . . . 0.0 117.533 -168.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.72 -171.15 43.93 Favored Glycine 0 N--CA 1.471 1.029 0 C-N-CA 125.43 1.49 . . . . 0.0 114.062 173.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -76.62 130.31 37.64 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.882 0.873 . . . . 0.0 110.923 169.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 69.7 m95 -130.12 145.23 51.68 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.99 1.316 . . . . 0.0 111.016 -177.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -84.23 139.94 32.02 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.281 0.632 . . . . 0.0 112.178 -169.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -68.8 156.48 38.29 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.97 0.908 . . . . 0.0 112.305 168.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -62.98 154.42 30.62 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.603 1.161 . . . . 0.0 112.447 175.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -66.86 -20.98 66.02 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.758 1.223 . . . . 0.0 113.183 -176.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 -94.27 -12.09 28.83 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.303 1.041 . . . . 0.0 112.223 176.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.0 m -97.0 -54.02 3.32 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.284 1.433 . . . . 0.0 111.255 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.4 p -59.03 -30.6 68.14 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -178.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -24.58 67.79 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.958 0.903 . . . . 0.0 113.077 174.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -80.11 -39.08 30.31 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.876 0.762 . . . . 0.0 110.253 177.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.0 mt -64.6 -43.69 93.01 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.05 1.34 . . . . 0.0 110.884 175.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -61.45 -28.23 69.13 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.061 1.344 . . . . 0.0 112.911 174.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -83.77 -30.39 26.67 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.032 -1.043 . . . . 0.0 112.313 -178.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.91 79.44 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.701 1.2 . . . . 0.0 113.973 -175.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -68.32 -24.6 64.85 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.82 0.736 . . . . 0.0 111.499 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.8 t -78.37 -29.29 47.34 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.957 1.303 . . . . 0.0 112.579 177.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -73.52 -42.44 61.75 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.716 1.206 . . . . 0.0 111.264 169.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.48 -7.73 7.91 Favored Glycine 0 C--N 1.341 0.843 0 C-N-CA 125.502 1.525 . . . . 0.0 114.192 176.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -63.85 155.9 29.11 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.242 1.521 . . . . 0.0 112.808 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -101.5 -2.07 31.57 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.169 1.388 . . . . 0.0 113.364 -176.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -169.22 141.17 2.5 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.886 2.074 . . . . 0.0 109.746 176.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.1 t -130.43 -178.23 4.68 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.914 1.285 . . . . 0.0 111.847 178.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -129.23 145.85 51.26 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 125.66 1.584 . . . . 0.0 111.594 -171.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.4 ptt? -151.51 148.33 27.91 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.093 1.357 . . . . 0.0 112.184 -174.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.55 142.41 34.34 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.806 1.642 . . . . 0.0 110.035 178.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.4 -152.96 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 125.034 1.333 . . . . 0.0 111.862 -179.595 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.46 -15.82 19.88 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 115.648 1.722 . . . . 0.0 115.648 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.7 15.28 0.03 OUTLIER Glycine 0 CA--C 1.534 1.249 0 N-CA-C 116.694 1.438 . . . . 0.0 116.694 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -150.03 153.28 36.23 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.781 1.291 . . . . 0.0 112.007 -169.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.58 124.5 37.62 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.521 1.128 . . . . 0.0 108.076 169.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -113.99 131.79 56.21 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.644 1.178 . . . . 0.0 111.341 170.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.0 t -85.74 116.17 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 125.832 1.653 . . . . 0.0 106.99 173.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.3 109.77 20.86 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.79 1.236 . . . . 0.0 109.038 174.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -86.86 114.58 23.63 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.308 1.443 . . . . 0.0 110.357 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.4 mp -83.44 -18.32 39.06 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.917 1.287 . . . . 0.0 112.095 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -65.96 -53.12 43.09 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.023 0.829 . . . . 0.0 112.021 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -101.79 -8.84 21.33 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.828 1.651 . . . . 0.0 111.991 -174.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 56.71 65.32 1.43 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.475 1.91 . . . . 0.0 110.725 -173.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.3 m -138.55 172.59 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 125.829 1.652 . . . . 0.0 110.494 175.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.1 141.26 29.92 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.798 0.839 . . . . 0.0 111.92 175.351 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -151.85 160.26 43.6 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.426 1.49 . . . . 0.0 113.868 -174.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -71.44 143.02 50.23 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.9 0.88 . . . . 0.0 111.236 173.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 72.9 mtp85 -52.12 -26.98 12.56 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -66.11 -30.88 71.46 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -177.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -166.27 124.12 1.43 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.141 0.976 . . . . 0.0 112.259 -172.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -68.78 -15.77 63.6 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -73.52 -22.33 78.62 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 125.504 1.526 . . . . 0.0 113.953 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -87.73 62.78 7.17 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.016 1.326 . . . . 0.0 110.324 174.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.3 ptt-85 -112.94 149.62 32.96 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.954 1.302 . . . . 0.0 114.456 -171.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -130.1 143.14 50.62 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.016 2.126 . . . . 0.0 109.869 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt -65.95 142.54 57.83 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.285 1.034 . . . . 0.0 113.203 179.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.3 pt -130.12 166.87 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.089 1.356 . . . . 0.0 111.479 170.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -156.45 165.34 36.59 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.485 1.514 . . . . 0.0 112.613 177.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.6 mtp-105 -102.5 152.62 20.93 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.458 1.503 . . . . 0.0 111.267 169.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.2 -179.24 7.35 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.431 1.492 . . . . 0.0 111.876 171.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.0 mm -128.23 140.5 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 126.417 1.887 . . . . 0.0 110.151 -177.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.1 mp -92.11 140.6 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 123.89 0.876 . . . . 0.0 110.393 171.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -106.8 -17.54 14.18 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.0 mm 76.44 127.18 0.03 OUTLIER Pre-proline 0 N--CA 1.485 1.324 0 C-N-CA 129.24 3.016 . . . . 0.0 111.886 176.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -78.09 169.01 21.07 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 123.958 3.106 . . . . 0.0 111.733 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -58.83 -34.52 71.64 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -60.86 -24.71 66.12 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.986 1.314 . . . . 0.0 113.233 173.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -86.25 -8.03 78.9 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 126.298 1.904 . . . . 0.0 115.0 174.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.7 t -131.31 65.92 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 126.332 1.853 . . . . 0.0 108.452 -178.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.6 t -165.83 157.21 13.91 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.282 1.833 . . . . 0.0 110.679 -175.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.52 65.19 2.49 Favored Glycine 0 CA--C 1.539 1.56 0 CA-C-O 118.406 -1.219 . . . . 0.0 113.03 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -71.49 158.61 53.52 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.884 3.056 . . . . 0.0 112.119 -176.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.1 p -73.21 -2.91 23.67 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.718 1.207 . . . . 0.0 114.213 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 52.3 p -82.22 -6.78 59.45 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.601 1.561 . . . . 0.0 114.089 175.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.25 0 CA-C-O 118.233 -1.315 . . . . 0.0 113.297 178.196 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo . . . . . 0 N--CA 1.48 0.723 0 N-CA-C 113.34 0.477 . . . . 0.0 113.34 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 p -82.27 -10.23 59.19 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -162.11 -46.99 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.326 1.45 . . . . 0.0 112.571 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.46 10.64 66.93 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.73 1.157 . . . . 0.0 114.488 177.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 p -167.93 168.78 11.88 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.75 1.62 . . . . 0.0 111.723 -169.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 m -163.08 160.63 24.64 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.207 1.803 . . . . 0.0 111.02 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.4 -172.39 36.14 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.729 1.157 . . . . 0.0 113.594 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -74.96 153.92 38.34 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.42 1.088 . . . . 0.0 112.747 -176.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.3 tp -157.34 143.58 17.84 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.191 1.796 . . . . 0.0 109.986 -178.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -143.61 141.89 30.81 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.62 1.568 . . . . 0.0 111.337 -176.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -76.12 158.13 82.41 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 124.99 1.316 . . . . 0.0 113.419 177.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -74.28 172.14 16.64 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 124.007 3.138 . . . . 0.0 112.561 -177.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.3 t -170.01 168.81 8.38 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 127.256 2.222 . . . . 0.0 110.248 -172.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mt -98.01 -18.31 18.66 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.238 1.815 . . . . 0.0 111.376 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.4 mt -83.51 -176.81 6.49 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 122.801 1.286 . . . . 0.0 113.118 -175.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.1 m -101.29 158.56 31.55 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 127.002 2.121 . . . . 0.0 112.094 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -61.48 -23.37 76.55 Favored 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 124.242 3.294 . . . . 0.0 113.26 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -87.73 -11.57 47.81 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.531 1.132 . . . . 0.0 113.902 176.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -86.57 -51.37 6.2 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.674 1.19 . . . . 0.0 111.114 175.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.25 -46.97 88.19 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.979 1.712 . . . . 0.0 110.666 -176.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -62.87 -38.92 92.78 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.101 173.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.19 -35.26 73.83 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.099 0.863 . . . . 0.0 113.063 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.75 -29.24 69.27 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.151 0.98 . . . . 0.0 113.065 174.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.7 t -89.25 -60.32 1.98 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.985 0.914 . . . . 0.0 111.825 177.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -72.77 -17.68 61.56 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.536 1.534 . . . . 0.0 114.583 -172.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.54 -19.86 76.67 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 124.502 1.048 . . . . 0.0 113.141 172.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -107.39 -64.41 1.2 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.136 1.375 . . . . 0.0 111.517 169.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.52 0.73 75.6 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.427 1.013 . . . . 0.0 113.071 -174.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -68.62 175.54 3.44 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.881 2.072 . . . . 0.0 112.201 169.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -172.16 150.67 2.49 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.719 1.607 . . . . 0.0 112.835 178.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -154.35 150.8 28.33 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.261 1.424 . . . . 0.0 112.423 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 67.4 m95 -96.54 145.09 26.02 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.044 1.338 . . . . 0.0 111.252 172.386 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -138.25 157.19 46.76 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.215 1.406 . . . . 0.0 112.394 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -138.9 148.87 44.17 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.758 1.623 . . . . 0.0 111.561 174.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -77.68 115.82 17.74 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 118.26 0.482 . . . . 0.0 109.97 171.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -115.32 -139.29 6.79 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 125.348 1.451 . . . . 0.0 112.783 177.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 47.1 ptt85 -54.7 -32.55 59.7 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 116.624 2.083 . . . . 0.0 116.624 -170.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -143.11 -9.12 0.78 Allowed 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -173.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 164.24 -159.6 32.48 Favored Glycine 0 N--CA 1.469 0.876 0 C-N-CA 125.361 1.458 . . . . 0.0 112.388 -176.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -67.97 130.61 43.49 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.941 0.896 . . . . 0.0 112.47 176.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.9 m95 -130.2 141.04 50.68 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.94 1.696 . . . . 0.0 110.199 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -79.14 141.06 37.59 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.401 0.68 . . . . 0.0 110.982 -174.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -68.17 158.39 33.29 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 172.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -72.72 154.22 40.79 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.679 1.192 . . . . 0.0 112.038 172.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -68.44 -20.66 64.65 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.684 1.194 . . . . 0.0 113.311 -176.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -93.67 -10.83 33.14 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.181 0.993 . . . . 0.0 112.286 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.9 m -100.28 -53.39 3.13 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.276 1.43 . . . . 0.0 111.387 177.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 65.0 p -58.92 -28.55 66.32 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -24.77 67.72 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.98 0.912 . . . . 0.0 113.247 173.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -76.42 -36.74 57.84 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.942 0.792 . . . . 0.0 110.463 176.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.1 mt -72.13 -41.14 67.53 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.639 1.576 . . . . 0.0 110.799 178.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -56.66 -36.51 69.62 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.041 1.736 . . . . 0.0 112.48 169.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -80.13 -38.38 31.65 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.04 -1.037 . . . . 0.0 111.466 -175.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.41 -50.11 71.1 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.26 1.424 . . . . 0.0 113.971 -175.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -67.33 -24.0 65.68 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.266 0.484 . . . . 0.0 111.589 177.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -78.5 -30.64 47.32 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.708 1.203 . . . . 0.0 112.654 176.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -73.5 -42.9 61.22 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.659 1.184 . . . . 0.0 111.972 174.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.94 -7.24 8.8 Favored Glycine 0 N--CA 1.468 0.803 0 C-N-CA 124.895 1.236 . . . . 0.0 114.252 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -64.65 153.31 39.86 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.059 1.429 . . . . 0.0 112.317 172.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -97.85 -3.45 38.69 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.789 1.236 . . . . 0.0 113.356 -176.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -170.12 153.61 4.67 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 126.332 1.853 . . . . 0.0 110.176 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 t -147.39 176.38 10.06 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.372 1.469 . . . . 0.0 111.411 -175.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -125.42 144.93 50.29 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 125.202 1.401 . . . . 0.0 111.695 -169.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 10.3 ptt? -151.67 147.26 26.52 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.046 1.338 . . . . 0.0 112.255 -174.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.84 142.93 33.53 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.819 1.648 . . . . 0.0 110.299 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.58 -152.24 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.97 1.308 . . . . 0.0 112.162 -179.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.63 -16.83 17.78 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.59 14.78 0.03 OUTLIER Glycine 0 CA--C 1.534 1.22 0 N-CA-C 116.597 1.399 . . . . 0.0 116.597 178.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -148.61 153.56 38.49 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.909 1.354 . . . . 0.0 112.198 -169.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.21 125.02 37.59 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.524 1.129 . . . . 0.0 108.234 169.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -113.9 132.76 55.8 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.839 1.256 . . . . 0.0 111.429 171.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.8 t -89.47 120.79 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 C-N-CA 125.888 1.675 . . . . 0.0 107.206 171.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.02 121.21 41.38 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.332 1.453 . . . . 0.0 109.893 177.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -104.64 119.85 39.95 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.844 1.658 . . . . 0.0 111.069 -174.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.2 mt -78.98 -16.22 57.22 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.618 1.567 . . . . 0.0 113.821 -176.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -85.96 -47.53 9.53 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.946 0.898 . . . . 0.0 112.103 -173.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -94.84 -11.84 28.08 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.555 1.542 . . . . 0.0 111.878 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mmt 54.96 64.54 1.77 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.55 1.94 . . . . 0.0 111.198 -172.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.6 m -140.04 168.36 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.83 1.252 . . . . 0.0 111.304 176.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -126.98 152.77 46.76 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.599 1.56 . . . . 0.0 110.531 170.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -160.85 161.98 32.05 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.304 1.441 . . . . 0.0 113.642 176.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -70.95 149.37 46.76 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.348 0.659 . . . . 0.0 111.225 169.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 70.7 mtp85 -57.52 -25.23 59.56 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -178.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -67.51 -32.02 72.55 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 -174.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -165.03 126.01 2.01 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.554 1.142 . . . . 0.0 111.563 -175.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -66.94 -15.94 64.02 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.67 -19.9 79.72 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.361 1.457 . . . . 0.0 114.092 177.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.6 tpt85 -86.25 62.07 7.21 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.11 1.364 . . . . 0.0 109.692 175.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -115.41 156.31 25.81 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 -169.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 80.9 mtt85 -134.38 146.31 49.77 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 127.043 2.137 . . . . 0.0 110.163 172.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -67.56 142.89 56.36 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.684 1.194 . . . . 0.0 114.003 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.1 pt -123.68 166.99 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.301 1.44 . . . . 0.0 109.843 168.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -154.26 170.54 21.01 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.225 1.41 . . . . 0.0 111.871 175.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -120.04 139.27 52.77 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.277 1.431 . . . . 0.0 109.225 169.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -141.57 -177.98 5.42 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.898 1.679 . . . . 0.0 111.581 -173.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.2 mm -130.84 136.83 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 125.57 1.548 . . . . 0.0 110.101 -172.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.3 mp -86.95 143.48 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.121 0.968 . . . . 0.0 110.844 174.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -96.14 -26.47 15.46 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.5 mm 75.84 127.35 0.03 OUTLIER Pre-proline 0 N--CA 1.486 1.338 0 C-N-CA 129.154 2.981 . . . . 0.0 111.835 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -78.06 169.31 20.62 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 124.007 3.138 . . . . 0.0 112.067 -178.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -62.11 -15.96 49.13 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -74.88 -18.72 60.38 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.501 1.521 . . . . 0.0 113.223 173.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -74.07 39.66 1.0 Allowed Glycine 0 CA--C 1.537 1.458 0 C-N-CA 126.937 2.208 . . . . 0.0 115.592 -173.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.7 p -75.6 144.77 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.309 1.444 . . . . 0.0 111.207 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.8 m -68.46 -13.33 62.23 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -175.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 172.65 170.02 35.92 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 125.246 1.403 . . . . 0.0 113.792 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -73.12 150.43 48.0 Favored 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 123.981 3.121 . . . . 0.0 111.453 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 25.7 t -164.66 154.32 13.59 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.193 1.397 . . . . 0.0 111.483 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.8 m -81.92 -7.14 59.59 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.463 1.105 . . . . 0.0 113.738 177.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.153 0 C-N-CA 125.091 1.329 . . . . 0.0 113.059 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo . . . . . 0 CA--C 1.54 0.788 0 N-CA-C 113.456 0.522 . . . . 0.0 113.456 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 t -162.74 172.16 15.68 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.236 1.414 . . . . 0.0 111.286 179.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.7 p -150.91 10.0 0.6 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.639 1.576 . . . . 0.0 113.66 -173.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.78 146.07 36.31 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.507 1.051 . . . . 0.0 113.536 -175.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.0 p -169.81 168.5 8.83 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.904 2.082 . . . . 0.0 110.383 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.2 m -77.26 -14.95 59.66 Favored 'General case' 0 N--CA 1.477 0.875 0 O-C-N 120.77 -1.206 . . . . 0.0 113.622 176.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.65 -52.21 3.49 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 126.076 1.798 . . . . 0.0 115.284 169.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -97.7 161.2 13.87 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.745 1.618 . . . . 0.0 113.246 -169.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.7 tp -69.0 155.19 40.77 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.455 1.502 . . . . 0.0 111.345 173.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -62.89 163.56 9.38 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 123.234 1.492 . . . . 0.0 113.426 176.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -75.79 157.03 84.32 Favored Pre-proline 0 CA--C 1.552 1.031 0 C-N-CA 126.356 1.862 . . . . 0.0 114.491 -169.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -77.55 -176.47 3.23 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 124.625 3.55 . . . . 0.0 112.393 -178.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.7 t -151.48 163.23 39.47 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 126.154 1.782 . . . . 0.0 111.512 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp -102.26 -4.05 26.31 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.895 1.678 . . . . 0.0 111.654 -177.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.9 mt -89.95 -179.75 5.78 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.934 1.294 . . . . 0.0 112.451 -177.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.0 m -92.01 157.07 41.71 Favored Pre-proline 0 CA--C 1.539 0.544 0 C-N-CA 126.197 1.799 . . . . 0.0 111.722 174.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -61.35 -21.96 73.25 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 123.881 3.054 . . . . 0.0 113.07 177.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -78.41 -32.6 48.77 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.251 1.021 . . . . 0.0 112.398 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -70.76 -48.45 54.32 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.967 1.307 . . . . 0.0 111.983 -174.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mt -63.8 -41.56 97.89 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.813 1.645 . . . . 0.0 110.202 -177.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -64.54 -46.41 82.98 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.584 0.754 . . . . 0.0 111.983 169.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.09 -28.09 69.54 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -177.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.51 -28.58 63.59 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 172.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.7 t -99.28 -54.81 2.86 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.054 0.941 . . . . 0.0 111.32 176.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -67.35 -15.54 63.75 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.218 1.807 . . . . 0.0 114.838 -174.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.2 -17.79 70.49 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.763 1.173 . . . . 0.0 113.667 173.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -122.8 -47.87 2.05 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.599 1.16 . . . . 0.0 112.358 170.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.42 2.32 76.81 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 124.999 1.285 . . . . 0.0 114.035 178.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.18 -177.32 5.38 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 126.005 1.722 . . . . 0.0 111.882 174.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -172.24 153.61 3.08 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.077 1.751 . . . . 0.0 112.105 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -153.13 152.46 31.3 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.952 1.701 . . . . 0.0 110.223 175.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -118.6 146.44 44.62 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 124.626 1.17 . . . . 0.0 109.692 173.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -136.78 157.47 46.69 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.765 1.226 . . . . 0.0 111.456 -177.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -136.02 149.51 48.84 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.503 1.521 . . . . 0.0 111.385 175.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -75.48 91.73 2.81 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.327 0.512 . . . . 0.0 111.481 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.38 -177.88 52.11 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 124.363 0.983 . . . . 0.0 112.703 173.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -60.0 -33.91 72.63 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -171.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -108.45 -7.08 15.88 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 -177.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 151.54 -171.05 31.09 Favored Glycine 0 N--CA 1.473 1.126 0 C-N-CA 125.92 1.724 . . . . 0.0 112.805 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -63.58 127.11 29.86 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.259 0.624 . . . . 0.0 111.643 172.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -125.23 142.72 51.32 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.407 1.083 . . . . 0.0 111.31 175.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -82.1 138.28 34.82 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.729 0.812 . . . . 0.0 111.328 -172.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -69.16 150.67 47.26 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.757 0.823 . . . . 0.0 111.861 169.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -58.73 154.0 15.59 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.283 1.433 . . . . 0.0 112.791 176.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -68.11 -19.79 64.87 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.478 1.111 . . . . 0.0 113.285 -174.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.3 mmt85 -95.35 -12.0 26.81 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.41 1.084 . . . . 0.0 112.042 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.5 m -97.4 -53.59 3.41 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.5 1.52 . . . . 0.0 111.241 176.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.5 p -58.06 -30.66 66.38 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.129 0.972 . . . . 0.0 113.225 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -27.97 69.77 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 174.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -73.07 -39.33 65.96 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.921 0.782 . . . . 0.0 109.904 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.8 mt -66.88 -44.38 81.03 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.718 1.607 . . . . 0.0 110.608 177.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -62.49 -31.05 71.74 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.313 1.445 . . . . 0.0 112.923 175.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -80.78 -36.81 31.33 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.246 -0.909 . . . . 0.0 110.778 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.44 -49.11 76.76 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.787 1.235 . . . . 0.0 114.114 -174.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -69.45 -19.02 63.78 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.79 0.723 . . . . 0.0 111.96 176.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.2 t -83.17 -31.0 27.36 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.916 1.286 . . . . 0.0 112.604 175.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -73.49 -42.34 61.96 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.113 1.365 . . . . 0.0 111.682 175.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.7 -7.38 8.34 Favored Glycine 0 C--N 1.34 0.779 0 C-N-CA 124.924 1.25 . . . . 0.0 114.174 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -65.34 151.66 45.71 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 119.158 1.479 . . . . 0.0 112.48 173.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -98.85 -0.41 42.49 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.161 1.384 . . . . 0.0 113.091 -175.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -171.64 147.92 2.37 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 126.885 2.074 . . . . 0.0 109.553 176.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.4 t -136.55 179.58 6.28 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.375 1.07 . . . . 0.0 111.748 178.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -128.92 146.57 50.92 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 125.631 1.573 . . . . 0.0 111.592 -171.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.2 ptt? -152.21 146.7 25.64 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.954 1.302 . . . . 0.0 112.101 -174.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.93 142.56 33.03 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.807 1.643 . . . . 0.0 109.93 177.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.32 -152.79 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.872 1.269 . . . . 0.0 111.734 -179.012 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.24 -15.9 18.06 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 115.556 1.687 . . . . 0.0 115.556 178.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.92 15.58 0.03 OUTLIER Glycine 0 CA--C 1.533 1.179 0 N-CA-C 116.803 1.481 . . . . 0.0 116.803 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -149.97 154.28 37.98 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.839 1.319 . . . . 0.0 111.993 -169.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.63 124.38 38.63 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.416 1.086 . . . . 0.0 108.079 169.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -112.68 130.9 55.89 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.46 1.104 . . . . 0.0 111.461 170.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.5 t -83.68 120.49 34.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 106.797 -1.556 . . . . 0.0 106.797 169.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.47 108.39 19.87 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 124.166 0.986 . . . . 0.0 108.458 170.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -82.21 111.81 18.65 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.374 1.47 . . . . 0.0 109.163 176.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.8 mp -86.92 -8.47 57.22 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.905 1.282 . . . . 0.0 112.46 -177.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -79.03 -52.61 7.98 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.417 1.008 . . . . 0.0 111.015 173.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -94.43 -10.07 33.58 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.339 1.856 . . . . 0.0 112.128 -173.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.3 mmt 55.96 64.81 1.61 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.659 1.984 . . . . 0.0 111.329 -173.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.9 m -142.76 154.29 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 O-C-N 121.238 -0.914 . . . . 0.0 112.347 178.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -101.3 145.97 28.17 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.814 0.846 . . . . 0.0 109.707 168.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -161.53 160.25 28.81 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.706 1.202 . . . . 0.0 113.783 171.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -79.27 137.1 37.24 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.975 1.31 . . . . 0.0 111.175 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -47.45 -45.85 26.25 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.356 1.462 . . . . 0.0 114.516 -175.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -92.43 0.44 57.44 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.961 1.304 . . . . 0.0 113.759 -175.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -148.01 50.23 1.04 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.604 1.562 . . . . 0.0 109.639 -169.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 39.0 p-80 -64.86 -18.17 64.92 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -169.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.83 -37.21 92.12 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.941 1.258 . . . . 0.0 112.617 175.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.8 mmm-85 -71.35 102.36 2.59 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.053 0.941 . . . . 0.0 109.569 169.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 31.6 ptt-85 -146.51 162.9 37.33 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.552 1.141 . . . . 0.0 113.435 -174.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.4 ptt-85 -158.25 149.94 21.43 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.814 1.646 . . . . 0.0 111.339 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -64.47 144.64 57.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.583 1.553 . . . . 0.0 114.003 -172.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.9 pt -122.15 170.48 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.913 1.685 . . . . 0.0 110.681 170.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.7 pttt -155.73 165.75 35.58 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.719 1.208 . . . . 0.0 113.07 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.7 mtp-105 -103.92 152.23 22.21 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.548 1.539 . . . . 0.0 110.647 167.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -150.28 168.57 23.67 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.368 1.867 . . . . 0.0 110.939 172.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.3 mm -123.97 134.63 65.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.508 1.523 . . . . 0.0 109.074 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.4 mp -85.62 141.11 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 123.745 0.818 . . . . 0.0 110.611 175.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -99.18 -22.06 15.83 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 23.2 mm 75.66 128.03 0.03 OUTLIER Pre-proline 0 N--CA 1.486 1.326 0 C-N-CA 128.874 2.87 . . . . 0.0 112.005 176.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -78.88 170.61 17.76 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 124.014 3.143 . . . . 0.0 111.971 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -63.68 -15.08 57.45 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 175.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -79.68 -13.44 59.47 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.721 1.608 . . . . 0.0 113.159 172.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -74.6 52.83 2.37 Favored Glycine 0 N--CA 1.475 1.284 0 C-N-CA 126.782 2.134 . . . . 0.0 114.63 -176.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 89.0 t -63.31 132.78 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 125.572 1.549 . . . . 0.0 110.092 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 53.7 p -81.03 -0.96 42.06 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 -170.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.71 133.52 32.27 Favored Glycine 0 CA--C 1.544 1.868 0 CA-C-O 117.861 -1.521 . . . . 0.0 112.203 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -57.34 143.93 92.6 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.937 3.091 . . . . 0.0 113.569 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 51.0 p -85.67 2.43 45.29 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.025 1.33 . . . . 0.0 113.601 177.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.9 m -73.18 -7.88 53.34 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.562 1.545 . . . . 0.0 114.991 -173.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.227 0 C-N-CA 125.302 1.429 . . . . 0.0 112.935 179.772 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo . . . . . 0 CA--C 1.539 0.76 0 N-CA-C 113.472 0.528 . . . . 0.0 113.472 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 p -88.85 -2.78 58.76 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.907 1.283 . . . . 0.0 114.103 -178.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -161.96 175.93 11.32 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.279 1.832 . . . . 0.0 110.983 -178.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.4 -154.59 21.85 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 125.471 1.51 . . . . 0.0 112.757 -175.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 t -161.13 164.52 30.58 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.154 1.382 . . . . 0.0 111.607 -177.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 m -78.9 -6.26 55.71 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.903 1.281 . . . . 0.0 114.03 -177.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.88 167.04 31.03 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 125.567 1.556 . . . . 0.0 113.643 178.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -130.36 178.32 6.68 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.35 1.86 . . . . 0.0 112.447 -174.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.4 tp -143.47 139.03 29.68 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.684 1.594 . . . . 0.0 109.752 175.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -154.98 173.16 16.94 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.422 1.489 . . . . 0.0 111.663 -172.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -136.37 160.31 67.34 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 126.978 2.111 . . . . 0.0 112.675 -172.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -72.05 171.82 15.95 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 124.014 3.143 . . . . 0.0 112.684 -176.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.9 t -168.82 171.1 8.76 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 126.462 1.905 . . . . 0.0 111.425 -169.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp -108.25 -5.02 17.04 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.424 1.89 . . . . 0.0 111.773 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.3 mt -93.06 -177.8 4.6 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.951 1.301 . . . . 0.0 112.783 -176.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 m -93.9 156.28 39.46 Favored Pre-proline 0 CA--C 1.539 0.55 0 C-N-CA 126.838 2.055 . . . . 0.0 112.347 177.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -60.54 -22.36 71.9 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 123.856 3.037 . . . . 0.0 113.014 176.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -87.27 -11.94 48.12 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.523 1.129 . . . . 0.0 113.253 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -88.55 -51.0 5.93 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.962 1.305 . . . . 0.0 110.736 175.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mt -61.03 -48.65 80.79 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 125.488 1.515 . . . . 0.0 110.523 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -64.67 -28.3 69.51 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 176.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.81 -43.1 47.75 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.748 0.819 . . . . 0.0 112.096 175.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.46 -44.29 83.17 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.119 0.968 . . . . 0.0 112.018 175.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.5 t -67.29 -19.66 65.52 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.376 1.071 . . . . 0.0 113.456 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -69.54 -26.66 64.61 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.863 0.865 . . . . 0.0 112.297 171.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.9 -59.73 1.57 Allowed Glycine 0 CA--C 1.53 0.997 0 C-N-CA 125.416 1.484 . . . . 0.0 111.584 172.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -160.02 -42.27 0.05 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.794 1.237 . . . . 0.0 112.931 174.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.25 -10.42 22.32 Favored Glycine 0 N--CA 1.475 1.274 0 C-N-CA 125.902 1.715 . . . . 0.0 114.417 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.84 -177.45 4.97 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.384 1.474 . . . . 0.0 112.663 173.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.2 p90 -171.46 152.01 3.16 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.269 1.828 . . . . 0.0 112.662 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -155.62 157.38 36.63 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.465 1.506 . . . . 0.0 111.321 176.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -111.51 149.8 30.85 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.476 1.11 . . . . 0.0 110.074 169.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -135.85 157.06 47.79 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.003 1.321 . . . . 0.0 111.527 178.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -136.76 148.33 47.18 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.061 1.344 . . . . 0.0 112.062 176.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.38 100.96 10.3 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.856 1.262 . . . . 0.0 109.015 -177.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.99 -143.16 8.5 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 124.684 1.135 . . . . 0.0 112.388 -176.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -89.72 -23.87 21.7 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.267 1.027 . . . . 0.0 113.63 -178.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -124.86 -6.2 7.38 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.992 1.478 . . . . 0.0 114.992 -175.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 155.26 -168.61 33.12 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 125.65 1.595 . . . . 0.0 113.13 178.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -68.58 128.21 35.8 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.586 0.754 . . . . 0.0 111.372 171.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 43.8 m95 -126.38 141.47 51.89 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.121 1.368 . . . . 0.0 110.979 177.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -79.41 139.15 37.78 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.287 0.635 . . . . 0.0 111.122 -173.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -68.79 158.49 34.26 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.931 0.892 . . . . 0.0 113.239 170.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -69.26 154.87 41.35 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.332 1.053 . . . . 0.0 112.15 171.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -68.12 -21.29 64.94 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.632 1.173 . . . . 0.0 113.362 -176.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.7 mmt85 -93.41 -13.98 27.34 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.003 0.921 . . . . 0.0 112.149 177.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.1 m -95.9 -52.62 3.99 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.235 1.414 . . . . 0.0 111.281 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.1 p -59.34 -29.31 67.57 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.321 0.859 . . . . 0.0 113.321 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -28.42 69.97 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 119.006 -0.521 . . . . 0.0 112.289 174.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -72.24 -38.33 68.93 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.08 0.854 . . . . 0.0 109.989 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.4 mt -68.71 -44.69 73.39 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.744 1.618 . . . . 0.0 110.699 177.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -62.43 -32.84 73.76 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.54 1.536 . . . . 0.0 112.871 176.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -81.2 -35.07 31.82 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.265 1.026 . . . . 0.0 111.158 -178.055 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.68 -49.5 74.87 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.754 1.222 . . . . 0.0 114.146 -175.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -68.57 -21.59 64.52 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 118.928 0.786 . . . . 0.0 111.826 176.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.1 t -80.69 -30.68 36.41 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.892 1.277 . . . . 0.0 112.547 176.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -73.62 -42.73 61.1 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.126 1.37 . . . . 0.0 111.703 173.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.51 -7.44 7.93 Favored Glycine 0 N--CA 1.468 0.833 0 C-N-CA 124.964 1.268 . . . . 0.0 114.171 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -65.89 151.83 45.84 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.255 1.527 . . . . 0.0 112.414 173.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -99.64 0.69 42.55 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.196 1.398 . . . . 0.0 113.31 -175.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -171.72 147.23 2.24 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.884 2.074 . . . . 0.0 109.496 176.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.2 t -136.25 176.95 8.23 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.177 0.991 . . . . 0.0 112.001 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -125.1 147.71 48.87 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 125.705 1.602 . . . . 0.0 111.627 -171.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.1 ptt? -155.07 146.13 22.68 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.777 1.231 . . . . 0.0 112.226 -174.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.54 143.02 32.03 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.842 1.657 . . . . 0.0 110.131 177.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.31 -151.94 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.069 1.348 . . . . 0.0 111.794 -178.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.27 -17.48 29.04 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 178.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.83 16.91 0.03 OUTLIER Glycine 0 CA--C 1.534 1.22 0 N-CA-C 116.53 1.372 . . . . 0.0 116.53 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -148.71 152.29 36.38 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.735 1.267 . . . . 0.0 111.899 -171.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.45 122.09 35.53 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 168.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -109.37 130.18 55.51 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 124.691 1.196 . . . . 0.0 110.954 171.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.3 t -86.41 116.04 28.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 170.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.62 110.82 20.66 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.292 1.037 . . . . 0.0 108.81 172.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -84.16 110.81 18.8 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.785 1.634 . . . . 0.0 109.379 178.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.8 mp -86.07 -9.0 57.5 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.695 1.198 . . . . 0.0 112.624 -177.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -77.87 -50.3 12.53 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.085 0.857 . . . . 0.0 111.502 174.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -99.19 -10.18 22.78 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.201 1.801 . . . . 0.0 112.048 -172.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.4 mmt 54.19 65.49 1.49 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.406 1.882 . . . . 0.0 111.122 -172.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.7 m -139.22 168.84 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 125.506 1.522 . . . . 0.0 110.818 174.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -122.62 147.2 46.71 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.723 1.609 . . . . 0.0 110.113 169.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -155.52 150.85 26.98 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.968 1.307 . . . . 0.0 112.53 174.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -78.92 141.99 37.12 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.834 1.654 . . . . 0.0 111.428 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -58.63 -18.89 34.26 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -175.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -75.34 -21.09 58.65 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -156.64 127.41 6.75 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 122.371 1.081 . . . . 0.0 112.72 177.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -86.28 -26.19 25.1 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.459 1.103 . . . . 0.0 113.653 -173.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -76.57 -47.28 10.39 Favored Glycine 0 N--CA 1.471 0.989 0 C-N-CA 124.168 0.89 . . . . 0.0 112.315 -174.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -66.15 114.36 5.21 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.315 1.046 . . . . 0.0 109.355 172.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.7 ptt-85 -150.82 156.99 42.37 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.079 1.352 . . . . 0.0 112.184 -171.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -129.89 144.69 51.45 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.567 1.547 . . . . 0.0 110.065 177.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.3 mmmt -65.51 147.33 53.59 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.46 1.104 . . . . 0.0 113.773 -177.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.8 pt -130.55 167.16 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 124.879 1.272 . . . . 0.0 110.269 168.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 43.6 pttt -155.33 165.55 36.29 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.835 1.254 . . . . 0.0 112.979 176.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -105.26 146.41 29.36 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.261 1.825 . . . . 0.0 109.597 168.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.22 179.6 8.38 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.411 1.484 . . . . 0.0 111.972 -178.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.9 mm -131.22 139.88 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 126.07 1.748 . . . . 0.0 110.204 -175.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.3 mp -90.24 141.19 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 123.951 0.901 . . . . 0.0 110.261 171.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -100.94 -18.47 16.31 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 26.2 mm 76.46 129.26 0.03 OUTLIER Pre-proline 0 N--CA 1.486 1.33 0 C-N-CA 128.766 2.826 . . . . 0.0 112.16 174.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -77.01 173.42 14.48 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 124.015 3.143 . . . . 0.0 111.82 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -57.14 -25.69 59.29 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -56.07 -20.97 19.3 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.32 1.448 . . . . 0.0 113.539 173.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -62.63 -12.05 38.75 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.597 1.57 . . . . 0.0 115.197 172.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.0 p -62.68 -22.3 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 CA-C-N 118.634 1.217 . . . . 0.0 112.909 169.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 69.7 m -77.93 115.74 17.9 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.874 0.87 . . . . 0.0 111.282 175.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -82.11 172.83 53.03 Favored Glycine 0 CA--C 1.541 1.676 0 C-N-CA 124.335 0.969 . . . . 0.0 114.318 -177.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -72.4 162.91 40.17 Favored 'Trans proline' 0 CA--C 1.536 0.593 0 C-N-CA 124.246 3.297 . . . . 0.0 111.922 178.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.4 m -72.75 -4.45 31.46 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -176.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.7 t -163.05 153.49 16.34 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.056 1.742 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.193 0 C-N-CA 125.353 1.454 . . . . 0.0 112.634 -178.313 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo . . . . . 0 CA--C 1.54 0.787 0 N-CA-C 113.561 0.562 . . . . 0.0 113.561 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -164.01 177.63 8.34 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.472 1.509 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 m -163.39 147.81 10.9 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.62 1.968 . . . . 0.0 111.175 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.0 165.74 41.17 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 124.858 1.218 . . . . 0.0 113.602 -177.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.5 p -168.16 156.22 8.58 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.286 1.435 . . . . 0.0 112.039 -175.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.5 p -85.73 -14.24 45.92 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.247 1.019 . . . . 0.0 113.698 174.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.03 174.37 37.21 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 125.646 1.593 . . . . 0.0 113.114 173.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -132.91 157.27 45.53 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.758 1.623 . . . . 0.0 111.958 -174.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.3 tp -99.64 150.31 22.39 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.589 1.556 . . . . 0.0 111.247 -178.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -67.68 160.32 28.24 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.66 1.184 . . . . 0.0 113.336 175.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -129.62 157.86 75.23 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 125.49 1.516 . . . . 0.0 113.316 -172.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -76.03 -176.13 2.88 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 124.671 3.581 . . . . 0.0 112.526 -177.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.8 t -147.95 162.09 40.03 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 126.083 1.753 . . . . 0.0 111.633 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mp -106.53 -2.74 21.59 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.062 1.745 . . . . 0.0 111.695 -177.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.3 mt -87.21 -178.55 6.25 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.933 1.293 . . . . 0.0 112.456 -177.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.7 m -94.18 157.78 37.08 Favored Pre-proline 0 CA--C 1.538 0.484 0 C-N-CA 126.349 1.86 . . . . 0.0 111.618 175.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -60.11 -25.3 79.49 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.737 2.958 . . . . 0.0 112.776 177.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -76.37 -33.48 58.91 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.346 1.058 . . . . 0.0 112.383 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -69.53 -48.93 58.85 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.801 1.24 . . . . 0.0 111.493 -177.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.3 mt -64.49 -47.19 79.88 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.687 1.595 . . . . 0.0 110.291 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -60.33 -38.72 84.62 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 171.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.55 -38.09 80.5 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.667 1.121 . . . . 0.0 112.615 176.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.29 95.6 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.89 0.876 . . . . 0.0 111.896 172.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.7 t -69.33 -33.18 72.74 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.819 0.848 . . . . 0.0 112.953 179.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -62.41 -21.86 65.72 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.724 1.209 . . . . 0.0 112.979 171.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.12 -15.35 76.58 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.939 1.733 . . . . 0.0 114.916 176.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -67.32 120.85 14.51 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.612 1.206 . . . . 0.0 111.613 174.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.4 -1.34 40.81 Favored Glycine 0 N--CA 1.475 1.286 0 C-N-CA 125.392 1.472 . . . . 0.0 115.764 -172.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -154.57 -175.06 5.23 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.635 1.974 . . . . 0.0 110.233 -173.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -170.85 152.43 3.64 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.504 1.521 . . . . 0.0 112.583 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -153.13 158.62 42.1 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.95 1.7 . . . . 0.0 110.448 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -118.52 149.44 41.3 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.429 1.092 . . . . 0.0 109.993 170.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -137.46 155.89 48.8 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.968 1.307 . . . . 0.0 111.357 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -135.57 149.11 49.31 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.304 1.442 . . . . 0.0 111.282 174.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -80.94 104.07 11.2 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 118.26 0.482 . . . . 0.0 110.735 175.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.96 -156.22 27.19 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.356 0.979 . . . . 0.0 111.696 169.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 82.7 mmt-85 -61.28 -43.53 98.73 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.951 0.9 . . . . 0.0 113.422 -177.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -107.08 -9.92 16.05 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 -170.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 153.41 -161.61 29.84 Favored Glycine 0 N--CA 1.472 1.067 0 C-N-CA 125.275 1.417 . . . . 0.0 113.165 178.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -66.67 129.36 39.6 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.084 0.954 . . . . 0.0 112.378 174.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 61.3 m95 -129.47 139.26 51.64 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.408 1.483 . . . . 0.0 110.61 175.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -82.12 140.37 33.84 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.621 0.768 . . . . 0.0 111.557 -170.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -71.5 156.28 39.62 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.949 0.899 . . . . 0.0 112.854 169.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -66.04 156.32 34.13 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.811 1.244 . . . . 0.0 112.248 172.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -66.88 -22.1 65.98 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.634 1.174 . . . . 0.0 113.192 -176.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -92.74 -13.85 28.75 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.898 0.879 . . . . 0.0 112.23 177.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.4 m -95.86 -52.53 4.03 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.086 1.354 . . . . 0.0 111.314 176.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.3 p -59.88 -29.37 68.27 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -28.36 69.98 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-O 118.911 -0.566 . . . . 0.0 112.422 174.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -72.46 -39.03 68.08 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.107 0.867 . . . . 0.0 110.001 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.1 mt -67.69 -44.83 76.82 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.655 1.582 . . . . 0.0 110.669 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -63.84 -30.68 71.75 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.279 1.432 . . . . 0.0 112.83 176.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -81.69 -37.55 27.2 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.053 0.941 . . . . 0.0 110.954 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.96 -49.18 78.67 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.814 1.246 . . . . 0.0 114.157 -176.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -69.46 -18.66 63.73 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.722 0.692 . . . . 0.0 112.095 176.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.8 t -84.53 -30.07 25.42 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.012 1.325 . . . . 0.0 112.56 175.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -74.73 -42.61 57.97 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.135 1.374 . . . . 0.0 111.736 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.12 -7.49 8.1 Favored Glycine 0 C--N 1.34 0.802 0 C-N-CA 124.87 1.224 . . . . 0.0 114.199 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -65.8 151.16 47.27 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.116 1.458 . . . . 0.0 112.266 172.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.9 pttt -98.57 -0.73 42.6 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.891 1.276 . . . . 0.0 113.334 -175.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -170.42 146.57 2.85 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.88 2.072 . . . . 0.0 109.421 178.244 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 t -134.74 176.69 8.41 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.293 1.037 . . . . 0.0 111.904 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -126.57 145.36 50.57 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.569 1.547 . . . . 0.0 111.488 -172.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.6 ptt? -151.16 146.35 26.06 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.873 1.269 . . . . 0.0 112.077 -173.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.39 142.82 32.22 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.819 1.648 . . . . 0.0 109.906 177.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.82 -152.84 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.968 1.307 . . . . 0.0 111.635 -179.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.29 -16.07 19.56 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 178.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.72 16.13 0.03 OUTLIER Glycine 0 CA--C 1.534 1.264 0 N-CA-C 116.637 1.415 . . . . 0.0 116.637 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -150.28 152.66 34.86 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.841 1.321 . . . . 0.0 112.129 -169.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.14 124.78 37.36 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 169.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -113.4 130.21 56.35 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.574 1.15 . . . . 0.0 111.296 170.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.8 t -85.86 113.79 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 125.772 1.629 . . . . 0.0 107.093 171.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.45 108.51 19.42 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.378 1.071 . . . . 0.0 108.994 173.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -84.0 114.94 22.07 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.12 1.368 . . . . 0.0 110.495 176.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.0 mp -86.15 -13.37 47.29 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.953 1.301 . . . . 0.0 112.19 -178.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -65.99 -54.66 23.34 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.386 0.994 . . . . 0.0 111.78 174.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -101.86 -5.99 24.1 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.633 1.573 . . . . 0.0 112.424 -173.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.7 mmt 58.07 65.08 1.36 Allowed 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.79 2.036 . . . . 0.0 111.085 -173.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.5 m -140.34 170.25 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 124.235 1.014 . . . . 0.0 111.341 177.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.477 ' NE2' HN61 ' A' ' 201' ' ' ATP . 1.9 pp0? -142.98 136.28 28.32 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.169 0.988 . . . . 0.0 111.774 177.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -151.47 163.64 38.54 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.965 1.706 . . . . 0.0 113.956 -172.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -73.37 148.01 43.79 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 121.331 -0.856 . . . . 0.0 111.64 172.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -54.91 -24.86 25.5 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -178.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -68.99 -30.84 69.33 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -177.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -165.2 129.13 2.35 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.68 0.792 . . . . 0.0 112.91 -171.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -65.36 -15.8 62.94 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 175.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.42 -17.03 79.74 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 125.689 1.614 . . . . 0.0 114.053 177.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.4 tpt85 -83.45 39.26 0.66 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.006 1.723 . . . . 0.0 111.441 175.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.8 ptt-85 -99.17 148.75 23.77 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 115.763 1.764 . . . . 0.0 115.763 -169.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -131.05 145.79 52.15 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 127.764 2.426 . . . . 0.0 109.549 172.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -65.86 143.06 57.69 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.333 1.053 . . . . 0.0 113.341 178.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.2 pt -125.79 168.78 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.973 1.309 . . . . 0.0 111.001 169.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -155.84 165.62 35.94 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.321 1.449 . . . . 0.0 112.901 174.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.9 mtp-105 -99.92 151.62 21.11 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.22 1.408 . . . . 0.0 109.243 166.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.03 178.63 9.49 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.16 1.384 . . . . 0.0 111.587 174.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.5 mm -130.61 140.34 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 125.546 1.539 . . . . 0.0 110.353 -175.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.1 mp -92.05 140.54 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.277 1.031 . . . . 0.0 110.673 171.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -104.38 -18.41 14.43 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.6 mm 74.69 127.84 0.03 OUTLIER Pre-proline 0 N--CA 1.486 1.336 0 C-N-CA 129.09 2.956 . . . . 0.0 111.628 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -76.85 167.41 25.31 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 123.645 2.897 . . . . 0.0 112.411 -176.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -64.39 -11.92 37.67 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 177.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -83.08 -30.3 28.1 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.018 1.327 . . . . 0.0 112.385 169.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -87.31 -39.48 7.3 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 125.489 1.519 . . . . 0.0 113.005 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.3 t -73.05 115.95 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.046 0.938 . . . . 0.0 108.672 170.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.1 t -165.68 165.16 18.86 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.055 1.342 . . . . 0.0 111.724 -175.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -84.26 173.52 50.1 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 125.041 1.305 . . . . 0.0 113.931 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -74.68 161.21 39.93 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 124.095 3.197 . . . . 0.0 111.795 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 18.8 m -68.36 -5.62 19.86 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.2 m -74.78 -9.1 58.23 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.487 1.515 . . . . 0.0 114.268 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.173 0 C-N-CA 125.092 1.329 . . . . 0.0 113.161 179.11 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ATP . . . . . 0.477 HN61 ' NE2' ' A' ' 80' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo . . . . . 0 CA--C 1.541 0.834 0 N-CA-C 113.456 0.522 . . . . 0.0 113.456 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 p -68.47 -20.84 64.64 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.815 0.846 . . . . 0.0 113.036 174.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 p -86.35 10.59 14.48 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.885 2.074 . . . . 0.0 113.099 169.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.09 -129.69 9.28 Favored Glycine 0 C--N 1.342 0.873 0 C-N-CA 125.17 1.367 . . . . 0.0 111.103 -176.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 m -94.45 10.76 33.18 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.873 1.269 . . . . 0.0 113.036 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -65.52 138.72 58.25 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 120.754 -1.217 . . . . 0.0 113.188 -176.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.25 171.12 36.14 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 125.568 1.556 . . . . 0.0 113.276 -178.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -111.88 164.98 12.49 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.621 1.568 . . . . 0.0 112.835 -176.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.4 HD23 ' H ' ' A' ' 10' ' ' ASP . 0.5 OUTLIER -155.57 166.35 33.79 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.251 1.82 . . . . 0.0 110.75 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.4 ' H ' HD23 ' A' ' 9' ' ' LEU . 17.7 m-20 -145.05 142.04 29.39 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.42 1.488 . . . . 0.0 112.096 -172.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -78.13 163.01 64.82 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 125.388 1.475 . . . . 0.0 113.143 173.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -69.22 173.5 10.4 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 123.493 2.796 . . . . 0.0 112.065 178.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.8 t -164.89 171.61 13.9 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.084 1.353 . . . . 0.0 112.477 -168.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mp -120.08 -1.23 10.4 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.791 2.036 . . . . 0.0 111.667 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.5 mt -77.52 -179.97 6.15 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 122.774 1.273 . . . . 0.0 112.46 175.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.7 m -86.53 155.21 56.73 Favored Pre-proline 0 CA--C 1.537 0.468 0 C-N-CA 126.149 1.78 . . . . 0.0 111.927 175.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -61.73 -22.1 73.63 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.612 2.875 . . . . 0.0 112.787 177.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -81.09 -31.27 34.41 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.212 1.005 . . . . 0.0 112.467 178.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -68.28 -49.22 61.97 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.032 1.333 . . . . 0.0 111.251 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 mt -67.05 -46.34 74.65 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 125.987 1.715 . . . . 0.0 110.477 -177.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -59.58 -40.18 86.52 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 118.461 -0.78 . . . . 0.0 112.551 170.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.78 -38.58 89.39 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.963 1.256 . . . . 0.0 112.559 176.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.51 -46.77 84.54 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.725 0.81 . . . . 0.0 112.048 172.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.1 t -64.16 -38.69 91.96 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.428 1.091 . . . . 0.0 112.935 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -69.33 -16.46 63.55 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.318 1.447 . . . . 0.0 113.605 174.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.58 -67.02 1.55 Allowed Glycine 0 C--N 1.341 0.854 0 N-CA-C 109.719 -1.353 . . . . 0.0 109.719 169.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -165.99 -9.41 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 170.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.99 4.65 66.83 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 125.265 1.412 . . . . 0.0 112.975 -168.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.9 -176.56 6.17 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.651 1.981 . . . . 0.0 112.566 175.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -170.99 151.4 3.28 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.917 1.687 . . . . 0.0 113.186 -179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -155.17 158.84 39.56 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.045 1.738 . . . . 0.0 111.395 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 55.6 m95 -111.59 146.96 36.45 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.047 1.339 . . . . 0.0 111.127 172.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -137.8 155.16 49.31 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.39 1.476 . . . . 0.0 112.069 -178.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -129.44 152.77 48.62 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.838 1.655 . . . . 0.0 111.47 174.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -73.16 103.47 3.91 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 122.033 -0.417 . . . . 0.0 110.234 172.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -89.48 178.57 44.42 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 124.642 1.115 . . . . 0.0 112.236 170.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.3 ttm-85 -67.7 -29.08 68.24 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -172.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -106.27 -6.36 18.48 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.281 1.432 . . . . 0.0 114.475 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.0 -173.51 29.69 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 126.275 1.893 . . . . 0.0 112.665 179.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -63.02 129.65 41.29 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 122.145 -0.621 . . . . 0.0 111.868 171.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -127.87 144.42 51.09 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.398 1.079 . . . . 0.0 111.648 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -80.24 141.75 35.28 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.755 0.822 . . . . 0.0 111.22 -173.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -68.83 158.82 33.67 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 172.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -64.96 149.11 50.32 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.65 1.18 . . . . 0.0 111.767 170.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -69.01 -17.95 63.98 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.787 1.235 . . . . 0.0 113.424 -173.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 -95.14 -11.79 27.55 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.306 1.042 . . . . 0.0 111.777 175.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.5 m -95.04 -53.97 3.62 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.768 1.227 . . . . 0.0 110.794 173.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.5 p -59.25 -29.94 67.91 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -177.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -30.0 71.14 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 122.864 0.466 . . . . 0.0 112.255 175.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -70.44 -36.56 74.02 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.049 0.84 . . . . 0.0 110.116 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.7 mt -75.25 -40.32 59.06 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.171 1.788 . . . . 0.0 111.076 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -64.17 -44.18 92.85 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.008 0.923 . . . . 0.0 112.488 171.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -67.47 -36.56 81.38 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.563 0.697 . . . . 0.0 110.151 -175.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.87 -49.44 77.45 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.286 1.435 . . . . 0.0 113.842 175.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -66.17 -24.31 66.62 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.896 1.225 . . . . 0.0 111.82 174.247 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.8 t -80.82 -24.45 38.47 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.755 1.222 . . . . 0.0 113.585 177.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -81.69 -42.51 19.8 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.21 1.404 . . . . 0.0 112.088 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.48 -7.61 9.02 Favored Glycine 0 C--N 1.34 0.791 0 C-N-CA 124.776 1.179 . . . . 0.0 114.229 -176.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -65.61 155.4 35.94 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.169 1.484 . . . . 0.0 111.957 169.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.5 pttp -104.03 0.33 29.71 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.801 1.24 . . . . 0.0 113.284 -177.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -169.93 152.96 4.56 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 126.134 1.773 . . . . 0.0 110.664 177.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.9 t -148.56 176.05 10.65 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.505 1.522 . . . . 0.0 111.39 -175.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -121.35 145.76 47.56 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.318 1.447 . . . . 0.0 111.9 -172.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -153.59 155.31 35.87 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.176 1.39 . . . . 0.0 112.263 -177.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.55 143.28 33.93 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.997 1.719 . . . . 0.0 110.306 178.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.48 -153.07 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.011 1.324 . . . . 0.0 112.044 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.17 -17.26 17.48 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 115.61 1.708 . . . . 0.0 115.61 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.54 17.31 0.03 OUTLIER Glycine 0 CA--C 1.535 1.292 0 N-CA-C 116.351 1.3 . . . . 0.0 116.351 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -151.32 150.96 31.12 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.695 1.248 . . . . 0.0 112.559 -169.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.03 125.5 35.84 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.708 1.203 . . . . 0.0 107.947 169.083 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -119.58 137.4 53.87 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.779 1.232 . . . . 0.0 111.98 173.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 43.1 t -89.06 111.2 22.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 C-N-CA 125.72 1.608 . . . . 0.0 108.047 173.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.71 104.48 10.33 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.72 1.208 . . . . 0.0 110.336 173.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -81.46 110.61 17.02 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.666 1.586 . . . . 0.0 109.341 176.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 76.1 mt -81.16 -9.12 59.85 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.932 0.893 . . . . 0.0 112.49 -178.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -86.95 -51.03 6.27 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.475 1.11 . . . . 0.0 111.282 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -97.1 -9.6 27.68 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.773 2.029 . . . . 0.0 111.764 -174.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.9 mmt 59.98 59.14 2.51 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.93 2.092 . . . . 0.0 112.167 -178.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 16.7 m -145.19 158.48 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -175.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -116.61 134.71 54.5 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 127.056 2.142 . . . . 0.0 110.7 177.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -154.44 156.92 37.64 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.686 1.594 . . . . 0.0 111.952 176.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 79.1 mtt85 -72.1 152.66 42.2 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 121.119 -0.988 . . . . 0.0 110.76 173.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.8 mtp-105 -57.18 -21.65 34.71 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 -172.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -98.09 -4.11 36.51 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.595 1.558 . . . . 0.0 114.799 -177.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -137.36 163.56 30.71 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.712 1.142 . . . . 0.0 113.511 -172.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 27.1 p80 -138.76 -23.62 0.94 Allowed 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 173.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -75.6 -15.87 80.99 Favored Glycine 0 N--CA 1.477 1.385 0 C-N-CA 124.385 0.993 . . . . 0.0 114.706 -175.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -94.92 6.71 48.26 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.698 1.599 . . . . 0.0 112.716 177.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -56.51 138.81 51.13 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.634 1.174 . . . . 0.0 113.652 -172.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -126.25 137.16 53.49 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.668 1.587 . . . . 0.0 111.54 -171.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt -71.05 143.41 50.73 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 115.386 1.625 . . . . 0.0 115.386 -169.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 31.3 pt -132.93 173.04 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 127.087 2.155 . . . . 0.0 110.584 171.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.0 pttt -155.39 165.4 36.73 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.422 1.489 . . . . 0.0 112.265 174.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 46.1 mtm105 -102.14 146.06 28.48 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.258 1.423 . . . . 0.0 108.729 167.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.14 179.66 7.46 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.274 1.429 . . . . 0.0 111.608 178.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.8 mm -133.73 137.16 53.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 125.349 1.46 . . . . 0.0 110.358 -170.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 5.3 mp -89.42 143.26 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.241 1.016 . . . . 0.0 110.85 173.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -96.72 -28.51 14.26 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.9 mm 74.34 127.59 0.03 OUTLIER Pre-proline 0 N--CA 1.486 1.354 0 C-N-CA 129.07 2.948 . . . . 0.0 112.212 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -79.04 168.78 20.16 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 124.084 3.189 . . . . 0.0 112.082 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -57.41 -31.44 65.86 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -69.32 -24.99 64.0 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.227 1.411 . . . . 0.0 113.197 174.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -89.23 -37.0 7.3 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 125.419 1.485 . . . . 0.0 112.955 173.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.0 t -66.82 -37.88 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.191 0.996 . . . . 0.0 111.622 174.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 50.8 m -78.42 124.89 28.62 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 121.528 -0.732 . . . . 0.0 111.735 176.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -79.14 149.91 33.13 Favored Glycine 0 CA--C 1.541 1.713 0 CA-C-O 119.013 -0.882 . . . . 0.0 112.51 177.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -77.56 -18.08 13.94 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.466 2.777 . . . . 0.0 113.058 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.5 p -152.39 20.97 0.64 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.496 1.518 . . . . 0.0 111.992 -174.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 75.1 p -160.93 161.93 31.85 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.67 1.588 . . . . 0.0 112.188 -169.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.228 0 C-N-CA 124.967 1.27 . . . . 0.0 112.942 179.493 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 CA--C 1.542 0.665 0 N-CA-C 110.756 -0.091 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.0 mt -80.27 -169.78 2.23 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.504 1.521 . . . . 0.0 112.849 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 m -114.47 159.5 36.61 Favored Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 127.561 2.344 . . . . 0.0 111.394 -176.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -60.45 -26.78 83.54 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.978 3.119 . . . . 0.0 112.986 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -83.85 -11.74 56.55 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -87.36 -51.2 6.08 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.617 1.167 . . . . 0.0 111.249 176.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.1 mt -58.43 -49.61 76.67 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.836 1.654 . . . . 0.0 111.037 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -58.75 -40.6 84.3 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.162 173.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.613 0 CA-C-N 119.088 0.858 . . . . 0.0 112.874 -179.261 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.438 0 N-CA-C 111.481 0.178 . . . . 0.0 111.481 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -170.21 150.1 3.59 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.212 1.405 . . . . 0.0 113.727 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.671 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -152.2 156.58 40.05 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.748 1.619 . . . . 0.0 110.75 176.02 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -115.06 148.55 38.75 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.568 1.147 . . . . 0.0 110.369 172.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -138.74 159.67 41.55 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.972 1.309 . . . . 0.0 111.953 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -140.02 149.11 42.79 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.734 1.614 . . . . 0.0 111.128 174.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -79.35 113.21 17.31 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.618 -0.676 . . . . 0.0 111.789 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -97.37 -164.16 31.98 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 124.863 1.221 . . . . 0.0 111.774 168.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 67.1 ttt-85 -58.27 -43.74 88.09 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.451 1.1 . . . . 0.0 113.23 -177.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -105.45 -4.36 21.45 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 -169.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 148.4 -164.56 29.03 Favored Glycine 0 N--CA 1.472 1.036 0 C-N-CA 125.664 1.602 . . . . 0.0 113.238 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -68.73 131.5 45.28 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.076 0.951 . . . . 0.0 111.819 172.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -128.75 141.71 51.23 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.138 1.375 . . . . 0.0 110.974 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -81.4 141.78 33.62 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.037 0.935 . . . . 0.0 111.93 -169.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -69.24 160.14 31.73 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.061 0.945 . . . . 0.0 113.013 169.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.11 148.96 51.03 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.516 0.726 . . . . 0.0 110.59 169.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -64.63 -20.89 66.55 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.27 -39.48 94.71 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.745 1.618 . . . . 0.0 111.811 169.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.4 m -95.51 -49.19 5.52 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 127.216 2.206 . . . . 0.0 112.698 -170.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.6 p -61.86 -30.04 70.59 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -174.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -26.22 68.36 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.53 0.732 . . . . 0.0 112.934 173.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -76.08 -39.9 54.33 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.698 0.681 . . . . 0.0 109.847 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.9 mt -66.69 -44.28 82.16 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.628 1.571 . . . . 0.0 110.731 176.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -63.48 -30.22 71.37 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.122 1.369 . . . . 0.0 112.883 175.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -80.76 -28.54 36.39 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.063 -1.023 . . . . 0.0 111.476 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.17 -46.08 75.05 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -173.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -70.85 -19.57 62.63 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.659 0.663 . . . . 0.0 111.84 174.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.4 t -81.67 -31.83 32.07 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.885 1.274 . . . . 0.0 112.373 175.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -73.01 -42.49 63.16 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.093 1.357 . . . . 0.0 111.602 173.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.01 -6.85 9.4 Favored Glycine 0 C--N 1.341 0.827 0 C-N-CA 125.1 1.333 . . . . 0.0 114.091 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.18 153.29 42.82 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.197 1.499 . . . . 0.0 112.759 175.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -96.21 -6.83 37.24 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.317 1.447 . . . . 0.0 113.285 -176.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -166.45 142.02 4.58 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.659 1.984 . . . . 0.0 110.038 178.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.8 t -128.29 -179.97 5.3 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.104 1.361 . . . . 0.0 111.533 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -130.6 146.7 52.16 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 126.128 1.771 . . . . 0.0 111.42 -173.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.3 ptt? -151.31 146.59 26.13 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.872 1.269 . . . . 0.0 112.103 -174.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.95 142.13 33.71 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.697 1.599 . . . . 0.0 109.877 176.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.18 -151.62 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.901 1.28 . . . . 0.0 111.862 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.02 -17.88 29.33 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.91 17.39 0.03 OUTLIER Glycine 0 CA--C 1.533 1.2 0 N-CA-C 116.406 1.322 . . . . 0.0 116.406 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -150.45 152.03 33.65 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.708 1.254 . . . . 0.0 112.155 -170.397 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.72 124.38 37.68 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 169.18 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -113.36 130.88 56.17 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.799 1.24 . . . . 0.0 111.224 171.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.8 t -86.56 118.8 33.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 C-N-CA 125.38 1.472 . . . . 0.0 107.056 171.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.66 108.87 21.19 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.929 1.292 . . . . 0.0 109.165 175.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -85.74 119.82 26.49 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 125.043 1.337 . . . . 0.0 110.268 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.2 mp -86.28 -18.98 30.6 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.801 1.24 . . . . 0.0 112.315 -175.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -73.83 -47.54 37.73 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.382 1.073 . . . . 0.0 112.072 -177.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -98.68 -9.5 24.55 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.494 1.517 . . . . 0.0 111.767 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 56.21 70.15 0.67 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.566 1.946 . . . . 0.0 110.839 -173.301 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.6 m -143.57 168.71 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 125.179 1.392 . . . . 0.0 111.529 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -126.07 153.06 44.99 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.654 1.581 . . . . 0.0 111.07 171.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -162.47 160.78 26.64 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.927 1.691 . . . . 0.0 112.304 175.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -73.5 147.59 43.92 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.227 -0.921 . . . . 0.0 111.112 171.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 72.3 mtp85 -51.34 -33.58 29.99 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -176.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -85.29 -9.77 57.29 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 113.944 1.091 . . . . 0.0 113.944 -178.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -102.58 121.82 43.16 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.221 1.409 . . . . 0.0 111.122 -174.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -93.78 -33.35 13.62 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.727 1.211 . . . . 0.0 113.709 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -96.81 -65.73 0.92 Allowed Glycine 0 N--CA 1.468 0.831 0 C-N-CA 125.197 1.379 . . . . 0.0 113.152 -172.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -68.21 128.45 36.61 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.927 0.891 . . . . 0.0 110.995 -171.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 32.4 ptt-85 -155.67 150.28 26.13 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.105 1.362 . . . . 0.0 111.733 -170.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 45.2 ttm105 -117.36 138.84 51.53 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 126.197 1.799 . . . . 0.0 109.735 -176.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -69.04 139.85 54.91 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -175.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.4 pt -126.41 168.28 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.287 1.435 . . . . 0.0 110.66 169.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -156.53 165.85 35.11 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.906 1.282 . . . . 0.0 113.228 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.2 mtp-105 -100.55 151.3 21.75 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.996 1.319 . . . . 0.0 109.104 165.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.87 -178.86 7.0 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.521 1.529 . . . . 0.0 111.235 174.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.2 mm -133.31 138.71 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 125.714 1.606 . . . . 0.0 109.506 -172.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.671 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.2 mp -86.17 140.43 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.746 0.818 . . . . 0.0 111.111 175.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -99.62 -16.59 18.17 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 -176.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 25.8 mm . . . . . 0 N--CA 1.484 1.263 0 C-N-CA 129.279 3.032 . . . . 0.0 112.157 176.626 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mt . . . . . 0 CA--C 1.539 0.555 0 N-CA-C 111.496 0.184 . . . . 0.0 111.496 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.9 mt -79.71 -177.97 6.15 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.827 1.251 . . . . 0.0 113.179 -176.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.8 m -95.19 157.93 35.61 Favored Pre-proline 0 CA--C 1.542 0.673 0 C-N-CA 126.406 1.883 . . . . 0.0 112.267 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -61.5 -23.86 77.3 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 124.111 3.207 . . . . 0.0 113.29 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -86.77 -11.34 51.31 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.511 1.124 . . . . 0.0 113.718 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -86.31 -51.41 6.26 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.604 1.162 . . . . 0.0 111.121 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 mt -62.13 -48.07 81.75 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.871 1.668 . . . . 0.0 110.877 -176.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -65.4 -31.19 72.16 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 176.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.59 0 CA-C-N 119.049 0.841 . . . . 0.0 112.907 174.972 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 111.532 0.197 . . . . 0.0 111.532 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -172.69 148.74 1.95 Allowed 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.19 1.396 . . . . 0.0 112.471 -175.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.639 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -155.17 151.17 27.88 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.013 1.325 . . . . 0.0 111.695 177.163 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 49.7 m95 -108.28 147.81 30.91 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.845 1.258 . . . . 0.0 109.697 169.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -136.63 161.33 36.2 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.879 1.272 . . . . 0.0 111.869 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -139.82 149.16 43.15 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.226 1.81 . . . . 0.0 111.021 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -77.12 133.6 38.95 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.483 0.658 . . . . 0.0 111.906 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -129.55 -168.16 12.27 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 126.369 1.938 . . . . 0.0 112.153 168.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -53.57 -42.67 67.8 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.306 1.442 . . . . 0.0 114.132 -171.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -106.51 -2.85 21.5 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 -172.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 146.15 -160.97 28.27 Favored Glycine 0 N--CA 1.471 1.023 0 C-N-CA 125.826 1.679 . . . . 0.0 113.203 178.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 93.9 m95 -70.51 136.47 49.41 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.044 0.938 . . . . 0.0 111.968 171.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -131.06 143.32 50.6 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.814 1.646 . . . . 0.0 110.481 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -86.07 141.87 29.13 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.59 0.756 . . . . 0.0 111.785 -169.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -69.25 154.34 42.21 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.65 0.78 . . . . 0.0 112.646 169.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -75.55 156.57 34.91 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.331 0.652 . . . . 0.0 110.855 170.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.94 -19.77 65.0 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -176.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -67.81 -33.93 75.76 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.812 0.845 . . . . 0.0 111.746 170.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.0 m -95.52 -50.19 5.08 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.987 2.115 . . . . 0.0 112.625 -170.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.4 p -63.12 -26.61 68.9 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -29.15 70.51 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 118.648 -0.691 . . . . 0.0 112.361 172.481 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -69.29 -39.17 78.49 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.429 1.013 . . . . 0.0 110.023 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.6 mt -69.9 -42.76 72.94 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.923 1.689 . . . . 0.0 111.0 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.45 -36.05 82.92 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.21 1.004 . . . . 0.0 112.908 172.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -74.27 -37.46 63.7 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 120.61 -1.306 . . . . 0.0 110.693 -177.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.34 -50.2 72.57 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.514 1.526 . . . . 0.0 114.431 -176.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.97 -24.47 66.06 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.895 0.77 . . . . 0.0 111.267 176.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.4 t -78.46 -32.83 48.6 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.673 1.189 . . . . 0.0 112.587 176.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -72.42 -41.99 65.59 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.983 1.313 . . . . 0.0 111.614 174.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.7 -7.1 8.96 Favored Glycine 0 C--N 1.34 0.8 0 C-N-CA 125.087 1.327 . . . . 0.0 113.968 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -65.67 150.36 48.61 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.116 1.458 . . . . 0.0 112.381 173.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -96.02 -3.94 44.01 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.246 1.419 . . . . 0.0 113.214 -176.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -166.89 141.28 3.96 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 126.502 1.921 . . . . 0.0 109.783 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 t -130.93 179.56 5.91 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.436 1.095 . . . . 0.0 112.356 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -127.87 146.69 50.54 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.77 1.628 . . . . 0.0 111.621 -170.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -154.87 147.61 24.38 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.842 1.257 . . . . 0.0 112.377 -173.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.8 144.01 31.69 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.917 1.687 . . . . 0.0 110.308 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.92 -150.72 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.171 1.389 . . . . 0.0 112.031 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.96 -17.33 23.67 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.78 13.45 0.03 OUTLIER Glycine 0 CA--C 1.534 1.254 0 N-CA-C 116.576 1.39 . . . . 0.0 116.576 178.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -147.46 157.47 43.59 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.999 1.4 . . . . 0.0 112.09 -169.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.29 124.62 43.01 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.769 1.227 . . . . 0.0 107.975 173.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -110.43 130.57 55.53 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 124.481 1.112 . . . . 0.0 111.631 170.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.2 t -88.09 115.9 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 C-N-CA 125.532 1.533 . . . . 0.0 106.87 169.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.57 113.15 24.81 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.219 1.408 . . . . 0.0 109.518 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -89.08 119.6 29.73 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.309 1.444 . . . . 0.0 110.6 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.6 mp -85.32 -9.38 57.72 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.727 1.611 . . . . 0.0 112.867 -173.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -93.86 -47.79 6.58 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.426 1.09 . . . . 0.0 111.666 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -88.22 -12.42 43.83 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.741 1.616 . . . . 0.0 112.093 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.0 mmt 55.53 59.42 3.9 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.506 1.922 . . . . 0.0 111.617 -174.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.8 m -139.54 163.37 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 124.548 1.139 . . . . 0.0 111.55 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -124.3 147.8 47.88 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.369 1.468 . . . . 0.0 111.13 171.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -157.04 161.54 39.52 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.737 1.615 . . . . 0.0 112.108 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -77.38 149.68 35.17 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.895 0.878 . . . . 0.0 110.502 175.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 69.3 mtp85 -53.01 -30.7 36.88 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 -171.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -92.81 -4.21 53.4 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -103.83 154.16 19.92 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.938 1.695 . . . . 0.0 112.058 -173.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -135.98 -32.94 0.86 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.773 1.629 . . . . 0.0 113.514 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.8 -57.21 1.64 Allowed Glycine 0 N--CA 1.47 0.938 0 C-N-CA 124.922 1.248 . . . . 0.0 112.322 -175.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -67.83 111.89 4.57 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.23 1.012 . . . . 0.0 109.712 174.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -151.46 143.31 23.79 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.73 1.612 . . . . 0.0 110.893 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -112.67 136.78 51.85 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.322 1.449 . . . . 0.0 109.568 -176.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -63.09 145.79 54.69 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.108 0.963 . . . . 0.0 113.201 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.3 pt -124.53 169.29 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.52 1.528 . . . . 0.0 110.01 168.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.7 pttt -155.24 167.79 29.2 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.864 1.266 . . . . 0.0 112.413 174.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -113.34 145.31 41.3 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.992 1.717 . . . . 0.0 109.766 169.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.79 178.5 9.58 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.006 1.323 . . . . 0.0 112.327 -177.158 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.6 mm -129.76 138.64 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 126.082 1.753 . . . . 0.0 109.86 -176.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.639 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.3 mp -88.61 140.76 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.763 0.825 . . . . 0.0 110.823 173.404 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -103.32 -16.0 15.78 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.9 mm . . . . . 0 N--CA 1.487 1.398 0 C-N-CA 128.847 2.859 . . . . 0.0 112.904 171.864 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.541 0.608 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.4 mt -92.32 -174.0 3.58 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.159 1.384 . . . . 0.0 112.487 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 m -103.93 158.87 30.99 Favored Pre-proline 0 CA--C 1.54 0.596 0 C-N-CA 126.837 2.055 . . . . 0.0 111.94 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -60.87 -25.23 80.94 Favored 'Trans proline' 0 CA--C 1.534 0.506 0 C-N-CA 123.983 3.122 . . . . 0.0 113.022 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -85.5 -11.05 55.17 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 176.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -86.95 -51.67 5.9 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.742 1.217 . . . . 0.0 110.997 174.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 mt -61.91 -47.83 83.18 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.859 1.663 . . . . 0.0 110.886 -176.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -62.77 -36.76 84.12 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 173.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.64 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.964 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.535 0.367 0 CA-C-O 120.573 0.225 . . . . 0.0 111.352 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -171.65 151.17 2.86 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.476 1.511 . . . . 0.0 111.899 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.741 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -151.13 147.36 26.96 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.504 1.522 . . . . 0.0 110.167 176.163 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 37.8 m95 -107.83 147.55 30.74 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.441 1.096 . . . . 0.0 110.429 174.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -138.81 154.83 48.5 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.833 1.253 . . . . 0.0 111.588 -178.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -135.46 148.84 49.4 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.075 1.35 . . . . 0.0 111.165 172.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -78.09 103.16 7.85 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 118.136 0.425 . . . . 0.0 110.075 173.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.48 -136.81 9.51 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 125.316 1.436 . . . . 0.0 112.846 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -58.53 -31.51 67.99 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 -172.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -144.74 -10.73 0.6 Allowed 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -173.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 166.53 -161.49 35.21 Favored Glycine 0 N--CA 1.471 0.98 0 C-N-CA 124.969 1.271 . . . . 0.0 112.596 -176.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -67.56 124.95 24.67 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.107 0.963 . . . . 0.0 112.049 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -124.73 137.36 54.34 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 125.212 1.405 . . . . 0.0 110.101 174.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -79.94 137.47 36.88 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.671 0.788 . . . . 0.0 111.011 -172.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -68.81 158.34 34.61 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.0 0.92 . . . . 0.0 112.796 170.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -74.15 161.24 30.18 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.46 0.704 . . . . 0.0 111.279 174.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -70.17 -19.52 63.19 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.135 0.974 . . . . 0.0 113.277 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -70.23 -37.66 75.04 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.846 0.858 . . . . 0.0 111.685 171.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 50.4 m -93.9 -50.11 5.49 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.289 1.835 . . . . 0.0 112.715 -169.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.1 p -61.81 -29.57 70.24 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -175.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -28.89 70.36 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 118.847 -0.597 . . . . 0.0 112.271 173.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -71.16 -38.43 72.19 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.342 0.974 . . . . 0.0 110.144 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.7 mt -68.66 -43.59 75.87 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.823 1.649 . . . . 0.0 110.812 178.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -65.19 -33.51 76.17 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.199 1.4 . . . . 0.0 113.09 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -81.05 -34.07 33.05 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.123 -0.986 . . . . 0.0 111.469 -177.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.13 -50.09 74.7 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.103 1.361 . . . . 0.0 114.008 -176.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -68.69 -22.47 64.36 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 118.946 0.794 . . . . 0.0 112.476 175.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 t -78.95 -28.74 43.72 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.534 1.133 . . . . 0.0 112.428 175.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -77.33 -42.17 37.71 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.02 1.328 . . . . 0.0 111.961 174.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.73 -7.63 8.3 Favored Glycine 0 N--CA 1.469 0.895 0 C-N-CA 125.062 1.315 . . . . 0.0 114.129 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -66.0 150.85 48.02 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 118.95 1.375 . . . . 0.0 112.27 171.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -98.47 0.22 44.73 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.931 1.292 . . . . 0.0 113.556 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -170.51 152.29 3.89 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.721 2.008 . . . . 0.0 109.774 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 t -143.75 172.45 12.81 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.368 1.467 . . . . 0.0 111.153 -175.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -121.96 145.49 48.07 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.068 1.347 . . . . 0.0 111.519 -172.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.5 ptt? -151.18 147.96 27.66 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.04 1.336 . . . . 0.0 111.903 -173.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.05 141.35 36.36 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 125.716 1.607 . . . . 0.0 109.825 177.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -119.2 -152.26 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.691 1.196 . . . . 0.0 111.779 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.76 -15.78 22.76 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 115.594 1.702 . . . . 0.0 115.594 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.73 14.82 0.03 OUTLIER Glycine 0 CA--C 1.533 1.195 0 N-CA-C 116.747 1.459 . . . . 0.0 116.747 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -149.53 152.38 35.47 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.869 1.334 . . . . 0.0 112.179 -169.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.49 125.42 36.22 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.55 1.14 . . . . 0.0 108.335 169.473 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -117.52 138.19 52.06 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.476 1.111 . . . . 0.0 111.603 170.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.6 t -92.97 122.48 44.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 126.03 1.732 . . . . 0.0 107.174 173.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.86 119.06 38.13 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.163 1.385 . . . . 0.0 109.692 175.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -103.17 117.44 34.53 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.333 1.853 . . . . 0.0 111.139 -173.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.5 mt -77.24 -20.99 54.46 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.46 1.504 . . . . 0.0 113.05 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -67.1 -51.08 58.66 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.969 0.804 . . . . 0.0 112.391 -178.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -102.01 -8.81 21.16 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.979 1.712 . . . . 0.0 111.972 -176.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 56.32 63.33 2.02 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.847 2.059 . . . . 0.0 111.472 -171.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 26.7 m -139.42 171.59 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 C-N-CA 124.604 1.162 . . . . 0.0 111.317 178.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -144.28 141.7 29.98 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.092 0.957 . . . . 0.0 111.694 174.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -157.26 167.18 31.07 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.945 1.698 . . . . 0.0 113.983 -169.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -72.03 143.97 48.95 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 121.234 -0.916 . . . . 0.0 111.679 170.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 72.5 mtp85 -47.37 -38.2 12.63 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.175 1.39 . . . . 0.0 114.63 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -99.15 -8.44 25.14 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -178.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -122.48 78.59 1.53 Allowed 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 122.422 1.106 . . . . 0.0 111.644 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -66.18 -15.45 63.15 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 115.25 -0.887 . . . . 0.0 112.663 172.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -87.5 -5.78 78.39 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.756 1.646 . . . . 0.0 114.365 174.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -117.8 87.98 2.82 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.865 1.332 . . . . 0.0 109.701 176.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -132.72 149.81 52.24 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 113.911 -1.495 . . . . 0.0 113.271 -169.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -125.13 140.44 52.88 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.665 1.986 . . . . 0.0 109.808 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -62.4 142.81 57.66 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.256 1.022 . . . . 0.0 112.477 175.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.1 pt -125.77 167.21 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.858 1.263 . . . . 0.0 111.083 170.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 43.9 pttt -155.52 167.35 30.67 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.377 1.471 . . . . 0.0 113.228 175.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.2 mtp-105 -105.95 152.07 23.78 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.479 1.512 . . . . 0.0 109.63 166.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.84 177.53 10.02 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.611 1.564 . . . . 0.0 111.138 172.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.8 mm -128.7 137.6 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.125 1.37 . . . . 0.0 110.046 -174.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.741 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.4 mp -88.49 141.45 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.066 0.946 . . . . 0.0 111.001 174.703 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -103.38 -17.17 15.38 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.4 mm . . . . . 0 N--CA 1.487 1.424 0 C-N-CA 128.557 2.743 . . . . 0.0 112.95 172.15 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.2 mt -93.74 -174.68 3.52 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.137 1.375 . . . . 0.0 112.587 -176.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 m -104.47 159.14 30.31 Favored Pre-proline 0 CA--C 1.542 0.647 0 C-N-CA 127.106 2.162 . . . . 0.0 111.793 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -61.08 -24.95 80.44 Favored 'Trans proline' 0 CA--C 1.535 0.532 0 C-N-CA 124.014 3.143 . . . . 0.0 113.123 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -86.05 -11.68 52.18 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.561 1.144 . . . . 0.0 113.999 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -85.41 -51.49 6.51 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.461 1.104 . . . . 0.0 111.148 176.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.62 -47.41 85.54 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.768 1.627 . . . . 0.0 110.514 -176.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -61.84 -38.13 87.06 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.36 0.664 . . . . 0.0 112.476 173.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.556 0 CA-C-N 119.064 0.847 . . . . 0.0 112.807 178.585 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.433 0 N-CA-C 111.526 0.195 . . . . 0.0 111.526 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -171.15 149.38 2.84 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.213 1.405 . . . . 0.0 114.037 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.693 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -153.12 155.67 37.2 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.843 1.657 . . . . 0.0 110.686 177.058 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.7 m95 -113.54 149.72 34.0 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.29 1.036 . . . . 0.0 110.685 169.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -137.18 160.18 39.74 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.061 1.344 . . . . 0.0 111.804 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -133.57 148.31 51.6 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.928 1.691 . . . . 0.0 111.151 173.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -79.93 112.21 17.0 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.862 -0.524 . . . . 0.0 110.145 175.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -98.21 -161.15 30.47 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.803 1.192 . . . . 0.0 112.021 169.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 67.0 ttt-85 -60.52 -43.76 96.77 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.412 1.085 . . . . 0.0 113.098 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -105.73 -6.26 19.26 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -169.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.1 -161.89 28.83 Favored Glycine 0 N--CA 1.472 1.078 0 C-N-CA 125.665 1.602 . . . . 0.0 113.023 178.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -68.17 133.2 48.51 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.906 0.882 . . . . 0.0 112.344 172.279 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -130.25 139.7 50.75 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.47 1.508 . . . . 0.0 110.391 176.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -83.57 139.67 32.71 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.616 0.766 . . . . 0.0 111.742 -169.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -71.19 154.43 41.69 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.943 0.897 . . . . 0.0 112.281 169.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -64.99 157.25 28.79 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.298 1.039 . . . . 0.0 112.238 174.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -65.47 -18.9 65.67 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.169 0.987 . . . . 0.0 112.77 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 -90.39 -15.23 31.41 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.773 1.229 . . . . 0.0 112.519 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 77.0 m -105.59 -50.26 3.24 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.787 1.635 . . . . 0.0 111.333 -177.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.7 p -59.41 -29.12 67.51 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -29.29 70.48 Favored 'General case' 0 C--N 1.342 0.251 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 174.033 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.82 -39.33 69.87 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.023 0.829 . . . . 0.0 109.871 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.7 mt -68.51 -45.17 73.02 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.646 1.579 . . . . 0.0 110.677 178.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.2 tp10 -63.88 -31.72 72.99 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.168 1.387 . . . . 0.0 112.679 176.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -80.64 -38.65 28.8 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.221 1.008 . . . . 0.0 110.932 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.23 -50.08 75.06 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.958 1.303 . . . . 0.0 114.14 -176.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -68.63 -19.55 64.43 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 118.839 0.745 . . . . 0.0 111.957 176.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 t -83.29 -31.11 27.07 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.809 1.244 . . . . 0.0 112.605 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -73.31 -41.82 63.08 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.126 1.37 . . . . 0.0 111.806 175.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.69 -7.46 8.34 Favored Glycine 0 C--N 1.34 0.781 0 C-N-CA 125.044 1.307 . . . . 0.0 114.158 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -65.85 151.13 47.38 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.077 1.438 . . . . 0.0 112.346 172.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -99.16 0.35 43.24 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.264 1.426 . . . . 0.0 113.19 -175.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -171.39 147.09 2.38 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 126.904 2.082 . . . . 0.0 109.551 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.0 t -137.08 174.48 10.57 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.086 0.955 . . . . 0.0 112.441 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -121.16 145.04 48.23 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 126.07 1.748 . . . . 0.0 111.44 -171.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.4 ptt? -153.83 149.27 27.21 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.908 1.283 . . . . 0.0 112.576 -172.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.31 143.42 33.0 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.955 1.702 . . . . 0.0 110.294 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.93 -152.66 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 125.088 1.355 . . . . 0.0 112.003 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.26 -16.09 19.38 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.55 15.35 0.03 OUTLIER Glycine 0 CA--C 1.533 1.196 0 N-CA-C 116.74 1.456 . . . . 0.0 116.74 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -149.74 153.11 36.38 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.801 1.301 . . . . 0.0 112.069 -169.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.54 124.26 38.46 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.428 1.091 . . . . 0.0 108.122 169.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -113.45 134.62 54.56 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.777 1.231 . . . . 0.0 111.463 172.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.6 t -86.19 118.39 32.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 169.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.25 111.45 22.26 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.222 1.009 . . . . 0.0 108.784 170.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -85.88 110.85 19.7 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 125.216 1.406 . . . . 0.0 110.083 176.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.4 mp -83.23 -11.35 57.9 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.076 1.351 . . . . 0.0 112.145 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -70.45 -54.93 10.34 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.126 0.876 . . . . 0.0 111.973 174.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -101.58 -6.08 24.31 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.623 1.569 . . . . 0.0 112.325 -172.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.7 mmt 58.29 61.55 2.26 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.545 1.938 . . . . 0.0 111.24 -173.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.9 m -137.62 172.91 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.326 1.051 . . . . 0.0 110.925 174.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.0 142.85 27.94 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.155 0.982 . . . . 0.0 111.72 176.141 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -155.36 162.75 40.75 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.336 1.454 . . . . 0.0 113.88 -172.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -68.98 141.73 54.84 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.6 1.16 . . . . 0.0 111.249 171.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.6 mtp-105 -54.87 -31.27 59.51 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 114.36 1.245 . . . . 0.0 114.36 -172.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -81.55 -17.17 49.36 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -172.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -156.67 124.55 5.53 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 122.607 1.194 . . . . 0.0 112.871 177.581 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -76.95 -15.93 59.51 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.531 1.132 . . . . 0.0 114.038 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.55 -22.44 77.28 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 125.343 1.449 . . . . 0.0 113.6 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.6 mmm-85 -88.74 61.31 5.95 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.075 1.35 . . . . 0.0 110.206 175.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 23.0 ptt-85 -111.83 152.47 27.88 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.125 1.37 . . . . 0.0 114.26 -172.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -132.29 143.47 49.91 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 127.271 2.228 . . . . 0.0 109.796 175.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.69 148.55 46.16 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.003 1.321 . . . . 0.0 113.396 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 31.6 pt -131.23 169.92 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.189 1.396 . . . . 0.0 111.337 170.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -158.17 166.16 33.13 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.983 1.313 . . . . 0.0 113.198 174.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.3 mtp-105 -100.8 149.13 24.15 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.185 1.394 . . . . 0.0 108.922 165.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -151.84 -179.89 7.85 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.329 1.451 . . . . 0.0 111.459 174.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.4 mm -132.88 137.17 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 C-N-CA 125.644 1.578 . . . . 0.0 109.735 -171.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.693 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.2 mp -87.56 139.86 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.064 0.946 . . . . 0.0 110.891 176.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -103.62 -15.46 15.79 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 -178.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 24.6 mm . . . . . 0 N--CA 1.485 1.307 0 C-N-CA 129.278 3.031 . . . . 0.0 111.866 177.385 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 CA--C 1.542 0.647 0 N-CA-C 110.657 -0.127 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.2 mt -88.11 -165.73 1.4 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.924 1.69 . . . . 0.0 112.844 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.3 m -114.41 158.35 40.17 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 127.559 2.343 . . . . 0.0 111.369 -177.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -61.24 -24.95 79.88 Favored 'Trans proline' 0 CA--C 1.535 0.57 0 C-N-CA 124.092 3.195 . . . . 0.0 113.216 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -86.82 -11.73 50.05 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.488 1.115 . . . . 0.0 113.96 176.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -85.8 -51.28 6.52 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.394 1.078 . . . . 0.0 111.274 177.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 mt -58.86 -49.67 76.87 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.864 1.665 . . . . 0.0 110.577 -177.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -64.43 -34.06 77.31 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.65 0.78 . . . . 0.0 112.022 177.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.536 0 CA-C-N 118.891 0.769 . . . . 0.0 112.222 176.494 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.539 0.534 0 CA-C-O 120.517 0.199 . . . . 0.0 111.496 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -170.8 150.77 3.28 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.384 1.474 . . . . 0.0 112.349 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.662 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -152.99 156.73 39.39 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.268 1.427 . . . . 0.0 111.216 176.399 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -113.59 147.32 38.25 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 124.917 1.287 . . . . 0.0 110.51 172.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -138.2 158.28 44.61 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.976 1.31 . . . . 0.0 112.064 -178.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -140.47 152.87 45.97 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.782 1.633 . . . . 0.0 111.06 175.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -78.87 118.96 21.39 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.639 -0.663 . . . . 0.0 111.748 178.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -106.42 -151.91 19.16 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.767 1.651 . . . . 0.0 112.604 170.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -66.47 -39.07 88.59 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.425 1.09 . . . . 0.0 113.821 -171.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -116.05 -6.67 11.95 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -171.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 155.17 -159.91 29.42 Favored Glycine 0 N--CA 1.472 1.034 0 C-N-CA 125.357 1.456 . . . . 0.0 113.214 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 92.8 m95 -71.06 132.04 44.53 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.17 0.988 . . . . 0.0 111.952 173.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 71.2 m95 -130.61 144.21 51.27 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.213 1.405 . . . . 0.0 110.957 177.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -81.74 142.0 33.04 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.846 0.858 . . . . 0.0 112.3 -169.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -69.28 159.92 32.18 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.1 0.96 . . . . 0.0 113.028 169.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -67.6 149.54 49.96 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.963 0.905 . . . . 0.0 111.736 171.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -67.27 -19.45 65.5 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.759 1.224 . . . . 0.0 113.488 -173.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -93.32 -12.42 30.07 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.019 0.928 . . . . 0.0 111.822 175.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.9 m -96.42 -52.71 3.86 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.297 1.439 . . . . 0.0 111.371 175.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.9 p -58.01 -31.99 67.5 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.108 0.963 . . . . 0.0 113.306 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -25.93 68.39 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.723 0.809 . . . . 0.0 112.728 176.326 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -76.13 -35.24 59.35 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.571 0.623 . . . . 0.0 110.377 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.8 mt -71.72 -43.13 66.41 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.797 1.639 . . . . 0.0 110.407 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -62.58 -31.23 72.01 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.665 1.586 . . . . 0.0 113.019 173.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -82.32 -26.47 32.99 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.11 -0.994 . . . . 0.0 111.648 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.29 -48.0 77.33 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -174.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -69.28 -21.43 63.88 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.709 -0.62 . . . . 0.0 112.323 174.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.3 t -80.06 -27.14 39.4 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.962 1.305 . . . . 0.0 112.556 174.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -78.32 -36.27 46.59 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.986 1.314 . . . . 0.0 112.235 172.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.23 -7.34 14.49 Favored Glycine 0 C--N 1.342 0.9 0 C-N-CA 125.313 1.435 . . . . 0.0 113.838 178.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.73 155.38 38.25 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 118.973 1.387 . . . . 0.0 112.78 172.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.9 pttt -99.26 -2.53 36.34 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.014 1.326 . . . . 0.0 113.862 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -167.4 151.22 6.5 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 126.024 1.73 . . . . 0.0 110.877 178.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.3 t -144.24 177.22 8.76 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.121 1.768 . . . . 0.0 110.791 -173.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -127.11 146.35 50.41 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 125.654 1.581 . . . . 0.0 111.923 -170.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.0 ptt? -152.83 149.87 28.75 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.286 1.435 . . . . 0.0 112.205 -176.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.96 144.21 31.83 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.9 1.68 . . . . 0.0 110.134 178.553 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.99 -151.99 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.967 1.307 . . . . 0.0 111.887 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.65 -16.22 24.76 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.92 14.93 0.03 OUTLIER Glycine 0 CA--C 1.533 1.19 0 N-CA-C 116.727 1.451 . . . . 0.0 116.727 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -148.75 154.04 39.02 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.938 1.369 . . . . 0.0 111.989 -170.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.38 124.29 36.32 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.477 1.111 . . . . 0.0 108.301 169.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -112.05 129.87 56.06 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.566 1.146 . . . . 0.0 111.447 170.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 46.4 t -84.66 121.0 36.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 C-N-CA 125.854 1.662 . . . . 0.0 106.852 168.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.74 119.16 37.69 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.91 1.284 . . . . 0.0 109.597 175.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -101.75 119.77 39.31 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.726 1.61 . . . . 0.0 111.145 -174.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.3 mt -77.73 -21.33 52.03 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.055 1.342 . . . . 0.0 113.032 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -66.33 -56.71 9.8 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.987 0.812 . . . . 0.0 111.451 -178.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -100.87 -10.26 20.85 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.92 1.688 . . . . 0.0 112.147 -173.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 57.39 67.65 0.95 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.38 1.872 . . . . 0.0 111.093 -174.363 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.1 m -140.14 166.3 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 125.746 1.619 . . . . 0.0 111.107 174.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -120.76 149.31 42.74 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.837 1.655 . . . . 0.0 110.251 170.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -163.03 162.24 25.82 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.453 1.501 . . . . 0.0 113.164 176.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.5 mtm-85 -73.3 149.51 42.62 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.032 -1.043 . . . . 0.0 112.076 174.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -56.46 -26.46 53.99 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 175.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -89.57 -11.42 42.79 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -177.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -157.6 123.41 4.67 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.572 1.078 . . . . 0.0 112.835 -174.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 57.3 p-80 -90.7 -17.16 27.25 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.99 1.316 . . . . 0.0 113.27 174.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.59 -18.4 78.54 Favored Glycine 0 N--CA 1.473 1.136 0 C-N-CA 125.709 1.624 . . . . 0.0 113.756 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -109.49 97.93 7.41 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.383 1.473 . . . . 0.0 109.345 169.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -134.03 148.13 51.04 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.511 1.524 . . . . 0.0 112.294 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -123.72 144.71 49.5 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.763 1.625 . . . . 0.0 109.958 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -68.09 140.44 56.24 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.326 1.051 . . . . 0.0 113.083 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.7 pt -128.02 167.56 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.085 1.354 . . . . 0.0 110.81 170.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -155.98 165.85 35.22 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.079 1.352 . . . . 0.0 113.028 175.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.3 mtp-105 -102.45 152.18 21.43 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.162 1.385 . . . . 0.0 109.381 166.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.34 -179.67 7.75 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.402 1.481 . . . . 0.0 111.608 175.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 27.7 mm -130.04 139.18 52.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 126.007 1.723 . . . . 0.0 109.057 -176.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.662 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.2 mp -83.37 139.52 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.207 176.244 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -96.87 -21.91 17.21 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.162 1.385 . . . . 0.0 114.587 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.7 mm . . . . . 0 N--CA 1.485 1.277 0 C-N-CA 129.441 3.096 . . . . 0.0 111.793 177.178 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.541 0.626 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.0 mt -90.35 -175.04 4.36 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.962 1.305 . . . . 0.0 112.571 -176.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.9 m -102.01 158.35 31.95 Favored Pre-proline 0 CA--C 1.541 0.61 0 C-N-CA 126.677 1.991 . . . . 0.0 111.963 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -60.86 -25.05 80.57 Favored 'Trans proline' 0 CA--C 1.534 0.503 0 C-N-CA 123.879 3.053 . . . . 0.0 113.098 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -86.38 -11.38 52.17 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.495 1.118 . . . . 0.0 113.961 177.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -86.29 -51.15 6.43 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.679 1.192 . . . . 0.0 110.899 173.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.61 -50.61 71.87 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.526 1.53 . . . . 0.0 110.584 -176.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -60.49 -34.64 74.36 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 174.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.624 0 CA-C-N 118.963 0.801 . . . . 0.0 112.39 177.341 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.468 0.474 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -171.34 153.48 3.61 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.067 1.747 . . . . 0.0 112.562 178.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.676 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -154.5 156.31 36.45 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.139 1.775 . . . . 0.0 110.474 176.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -108.78 151.45 26.21 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.192 0.997 . . . . 0.0 111.197 170.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -138.54 158.34 44.43 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.666 1.586 . . . . 0.0 111.807 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -134.63 147.04 50.09 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.585 1.554 . . . . 0.0 111.71 175.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -72.75 106.19 4.63 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 123.449 0.699 . . . . 0.0 109.753 172.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.96 -170.47 36.81 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 124.977 1.275 . . . . 0.0 111.495 169.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.3 ttm105 -73.49 -23.64 60.08 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -171.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -111.47 -7.89 14.31 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 125.402 1.481 . . . . 0.0 114.809 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.05 -167.73 30.05 Favored Glycine 0 N--CA 1.473 1.126 0 C-N-CA 126.079 1.8 . . . . 0.0 113.178 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -66.34 128.89 37.92 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.605 0.762 . . . . 0.0 111.73 172.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 44.0 m95 -127.23 142.95 51.35 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.002 1.321 . . . . 0.0 111.187 176.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -81.16 140.01 35.24 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.534 0.734 . . . . 0.0 111.609 -171.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -71.74 155.41 40.49 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.906 0.882 . . . . 0.0 112.726 169.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -66.77 155.55 37.86 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.657 1.183 . . . . 0.0 112.183 172.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -67.16 -22.26 65.77 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.723 1.209 . . . . 0.0 113.306 -176.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -92.32 -13.33 30.45 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.945 0.898 . . . . 0.0 112.197 176.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.9 m -95.97 -53.44 3.67 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.116 1.367 . . . . 0.0 111.228 176.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.0 p -58.86 -30.74 67.95 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -28.87 70.14 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 118.861 -0.59 . . . . 0.0 112.432 174.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -71.83 -37.98 70.23 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.112 0.869 . . . . 0.0 110.106 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.9 mt -69.24 -42.41 75.68 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.741 1.616 . . . . 0.0 110.936 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -70.17 -26.43 63.91 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.043 0.937 . . . . 0.0 113.127 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -82.61 -36.38 26.17 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 120.457 -1.402 . . . . 0.0 111.393 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.94 -51.14 70.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.477 1.511 . . . . 0.0 114.002 -177.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -68.49 -23.98 64.63 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 118.608 0.64 . . . . 0.0 111.988 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.3 t -76.26 -30.11 57.72 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.648 1.179 . . . . 0.0 112.305 175.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -75.87 -41.36 52.42 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.502 1.121 . . . . 0.0 111.976 174.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 126.39 -7.55 7.52 Favored Glycine 0 N--CA 1.469 0.879 0 C-N-CA 125.216 1.389 . . . . 0.0 114.352 177.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -66.93 151.22 48.0 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.024 1.412 . . . . 0.0 112.292 171.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -97.63 -1.24 44.15 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.743 1.217 . . . . 0.0 113.727 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -169.87 153.35 4.79 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.458 1.903 . . . . 0.0 109.676 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.1 t -143.6 164.93 29.0 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.057 1.343 . . . . 0.0 111.298 -175.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -113.05 142.06 46.16 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 125.203 1.401 . . . . 0.0 110.832 -176.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 14.7 ptt? -144.81 144.63 31.25 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.84 1.256 . . . . 0.0 111.902 -173.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.65 141.5 33.43 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 125.59 1.556 . . . . 0.0 109.628 175.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.58 -153.7 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.889 1.275 . . . . 0.0 111.477 -178.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.08 -15.51 14.31 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.23 16.55 0.03 OUTLIER Glycine 0 CA--C 1.535 1.296 0 N-CA-C 116.908 1.523 . . . . 0.0 116.908 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -149.91 155.58 40.26 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 118.965 1.383 . . . . 0.0 111.902 -169.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.71 124.35 43.49 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 171.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -118.48 138.92 52.16 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 124.479 1.112 . . . . 0.0 111.315 172.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.0 t -91.77 128.69 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 125.504 1.522 . . . . 0.0 107.181 170.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.73 119.99 40.94 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.538 1.535 . . . . 0.0 109.759 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -106.34 121.08 43.5 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.17 1.788 . . . . 0.0 111.329 -172.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.2 mt -80.89 -20.89 41.22 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.931 1.693 . . . . 0.0 113.288 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -68.02 -50.7 53.86 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.995 0.816 . . . . 0.0 112.026 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -101.72 -10.89 19.57 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.942 1.697 . . . . 0.0 112.14 -174.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.1 mmt 57.87 68.86 0.79 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.959 2.104 . . . . 0.0 111.344 -171.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 26.9 m -147.81 162.77 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 124.279 1.032 . . . . 0.0 112.319 -175.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.38 148.71 51.33 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.436 1.495 . . . . 0.0 112.094 173.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -162.1 162.81 28.77 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.953 1.701 . . . . 0.0 112.986 -173.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.3 mtp-105 -80.74 146.05 31.21 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.301 1.041 . . . . 0.0 111.081 170.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.2 mtp-105 -52.76 -38.35 60.86 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -169.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -94.6 -4.41 47.85 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.757 1.223 . . . . 0.0 113.723 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -102.69 31.39 4.15 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.282 1.833 . . . . 0.0 111.736 -173.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 35.4 p80 -56.7 -20.01 19.57 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 116.068 1.877 . . . . 0.0 116.068 -169.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -76.98 -5.54 84.9 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 125.768 1.652 . . . . 0.0 114.789 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 74.8 ttt-85 -144.41 141.07 29.41 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.068 1.747 . . . . 0.0 111.062 -175.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -162.91 157.92 21.79 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.496 1.119 . . . . 0.0 112.989 -169.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -130.75 136.35 48.66 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.661 1.584 . . . . 0.0 110.528 -173.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -58.45 147.64 30.94 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 -172.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 5.0 pt -130.29 165.48 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 125.835 1.654 . . . . 0.0 110.107 168.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.5 pttt -155.95 170.5 21.99 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.678 1.191 . . . . 0.0 113.123 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.7 mtt85 -104.37 152.88 21.75 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.112 1.365 . . . . 0.0 109.494 166.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -149.02 179.44 7.87 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.546 1.539 . . . . 0.0 111.233 171.464 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.0 mm -128.22 137.76 56.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.268 1.427 . . . . 0.0 110.366 -174.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.676 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.1 mp -90.5 141.21 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.078 0.951 . . . . 0.0 110.203 171.195 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -100.96 -24.95 14.24 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.9 mm . . . . . 0 N--CA 1.487 1.413 0 C-N-CA 128.693 2.797 . . . . 0.0 112.394 176.602 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.542 0.655 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.9 mt -88.67 -175.69 5.01 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.848 1.259 . . . . 0.0 112.583 -176.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.9 m -98.14 157.67 34.09 Favored Pre-proline 0 CA--C 1.54 0.591 0 C-N-CA 126.542 1.937 . . . . 0.0 112.008 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -61.07 -24.42 79.4 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 123.952 3.101 . . . . 0.0 113.108 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -86.8 -11.44 50.96 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.528 1.131 . . . . 0.0 113.896 177.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -86.56 -51.28 6.26 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.763 1.225 . . . . 0.0 110.937 173.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mt -61.16 -50.82 71.62 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 125.566 1.546 . . . . 0.0 110.753 -177.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -61.19 -31.54 71.29 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 175.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.567 0 CA-C-N 119.019 0.827 . . . . 0.0 112.451 176.139 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.469 0.479 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -171.41 152.73 3.35 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.983 1.713 . . . . 0.0 112.536 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.706 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -153.24 152.74 31.52 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.827 1.651 . . . . 0.0 110.728 177.124 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -108.26 149.51 28.51 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.791 1.236 . . . . 0.0 110.578 173.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -139.66 150.01 44.4 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.731 1.612 . . . . 0.0 112.027 -177.276 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -135.87 150.98 49.56 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.384 1.474 . . . . 0.0 112.072 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -75.96 113.05 13.03 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 120.776 0.322 . . . . 0.0 110.881 172.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.24 -146.85 20.68 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 125.369 1.461 . . . . 0.0 111.955 170.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -76.08 -42.57 46.89 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.747 0.819 . . . . 0.0 112.44 178.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -106.85 -8.94 16.52 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 -170.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 155.96 -159.48 29.36 Favored Glycine 0 N--CA 1.473 1.166 0 C-N-CA 124.847 1.213 . . . . 0.0 113.315 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -76.17 131.11 39.16 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.164 0.986 . . . . 0.0 111.644 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -130.81 143.32 50.66 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.962 1.305 . . . . 0.0 111.268 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -83.08 141.15 32.22 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.615 0.766 . . . . 0.0 111.143 -174.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -70.51 162.83 28.07 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 169.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -76.13 154.35 35.55 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.268 0.627 . . . . 0.0 110.202 169.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -68.24 -19.62 64.75 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.407 1.083 . . . . 0.0 113.6 -177.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -67.76 -37.06 81.61 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.946 0.899 . . . . 0.0 111.416 170.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.1 m -90.3 -52.62 4.84 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.521 1.928 . . . . 0.0 112.431 -173.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 85.2 p -60.43 -30.68 69.79 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.332 0.969 . . . . 0.0 113.528 -173.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -29.74 71.0 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-O 118.754 -0.641 . . . . 0.0 112.233 175.467 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -69.63 -35.55 75.33 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.278 0.945 . . . . 0.0 110.362 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.9 mt -74.57 -42.8 58.11 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.864 1.666 . . . . 0.0 110.693 -177.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -69.52 -26.95 64.77 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.944 0.898 . . . . 0.0 113.248 174.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -80.56 -35.71 33.98 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 120.593 -1.317 . . . . 0.0 111.432 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.83 -52.33 65.52 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.235 1.414 . . . . 0.0 114.336 -176.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -68.17 -23.22 64.83 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.678 0.672 . . . . 0.0 112.055 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 t -76.53 -31.2 57.5 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.699 1.2 . . . . 0.0 112.31 174.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -74.54 -41.26 60.9 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.621 1.169 . . . . 0.0 111.846 174.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 126.08 -7.57 7.66 Favored Glycine 0 N--CA 1.469 0.852 0 C-N-CA 125.083 1.325 . . . . 0.0 114.218 178.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -66.73 150.84 48.51 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.062 1.431 . . . . 0.0 112.223 171.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -97.88 -1.3 43.3 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.959 1.304 . . . . 0.0 113.517 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -167.86 150.17 5.63 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.09 1.756 . . . . 0.0 110.663 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.4 t -140.84 -179.9 6.33 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.681 1.592 . . . . 0.0 110.91 -176.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -130.71 145.13 51.86 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 125.077 1.351 . . . . 0.0 111.614 -170.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -153.62 151.35 29.62 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.829 1.251 . . . . 0.0 112.093 -174.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.34 142.33 34.75 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.962 1.705 . . . . 0.0 109.989 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -119.35 -150.93 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.874 1.27 . . . . 0.0 111.712 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.89 -15.84 24.6 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.45 13.85 0.03 OUTLIER Glycine 0 CA--C 1.534 1.269 0 N-CA-C 116.847 1.499 . . . . 0.0 116.847 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -149.18 150.24 32.31 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.909 1.355 . . . . 0.0 112.321 -169.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.41 125.43 35.55 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.656 1.183 . . . . 0.0 108.462 169.637 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -117.39 134.82 54.38 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.845 1.258 . . . . 0.0 112.015 173.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 42.1 t -90.65 108.62 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 125.658 1.583 . . . . 0.0 108.402 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.491 ' HB2' HE22 ' A' ' 80' ' ' GLN . . . -81.34 100.14 9.05 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.971 1.708 . . . . 0.0 111.284 178.251 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -89.31 116.78 27.78 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.931 1.292 . . . . 0.0 111.119 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.5 mt -77.19 -22.5 52.29 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.317 1.447 . . . . 0.0 112.76 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -67.62 -48.28 67.24 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 118.954 0.797 . . . . 0.0 112.321 -176.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -100.24 -11.14 20.63 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.09 1.756 . . . . 0.0 111.495 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 58.76 66.84 1.0 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.889 2.076 . . . . 0.0 111.052 -170.044 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.2 m -147.24 157.73 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -174.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.491 HE22 ' HB2' ' A' ' 73' ' ' ALA . 47.5 mm-40 -114.02 140.15 48.68 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 126.553 1.941 . . . . 0.0 111.451 172.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -153.45 153.84 33.27 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.924 1.29 . . . . 0.0 112.209 171.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -71.95 140.72 49.31 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.921 0.888 . . . . 0.0 110.419 174.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 72.6 mtp85 -47.66 -36.55 11.2 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 -173.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -97.13 -4.73 38.78 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.673 1.189 . . . . 0.0 114.201 -177.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -102.79 109.34 20.89 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.767 1.227 . . . . 0.0 111.267 -174.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -93.11 -22.42 19.1 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.818 1.247 . . . . 0.0 113.236 177.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.05 -12.21 83.59 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.937 1.256 . . . . 0.0 115.628 -171.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 -140.51 165.2 28.1 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.301 1.441 . . . . 0.0 113.787 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -165.49 157.17 14.61 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 127.291 2.236 . . . . 0.0 112.215 169.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -118.06 127.09 53.46 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.165 1.786 . . . . 0.0 110.604 177.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.2 145.68 55.5 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.878 1.271 . . . . 0.0 113.34 179.189 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.1 pt -131.88 167.02 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.287 1.435 . . . . 0.0 111.609 177.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -155.63 166.52 33.26 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.316 1.446 . . . . 0.0 112.467 -178.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -105.1 154.07 20.66 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.978 1.311 . . . . 0.0 111.028 168.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.81 -179.18 6.61 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.631 1.572 . . . . 0.0 110.97 169.392 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.8 mm -128.5 137.95 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 125.813 1.645 . . . . 0.0 109.963 -174.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.706 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.1 mp -90.28 140.88 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 123.97 0.908 . . . . 0.0 110.167 171.21 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -101.78 -23.39 14.2 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -178.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 25.2 mm . . . . . 0 N--CA 1.488 1.469 0 C-N-CA 128.574 2.749 . . . . 0.0 112.159 176.65 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mt . . . . . 0 CA--C 1.539 0.536 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.0 mt -78.57 179.37 7.13 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 123.03 1.395 . . . . 0.0 113.366 -174.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.9 m -87.32 155.12 54.54 Favored Pre-proline 0 CA--C 1.541 0.6 0 C-N-CA 126.68 1.992 . . . . 0.0 112.285 177.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -62.69 -18.69 65.37 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 124.124 3.216 . . . . 0.0 113.218 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -83.09 -33.25 26.42 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.908 0.883 . . . . 0.0 112.147 176.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -68.93 -49.01 61.78 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.117 1.367 . . . . 0.0 111.796 -176.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 mt -64.66 -44.44 90.4 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.94 1.696 . . . . 0.0 110.299 -176.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -62.04 -45.39 93.79 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.972 170.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.618 0 CA-C-N 119.509 1.05 . . . . 0.0 113.411 -178.958 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.537 0.467 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -170.38 152.31 4.0 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.616 1.566 . . . . 0.0 112.36 178.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.716 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -153.01 156.46 38.85 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.679 1.592 . . . . 0.0 111.049 177.093 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -116.89 147.84 41.83 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.912 1.285 . . . . 0.0 110.346 171.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -137.12 155.32 49.76 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.976 1.31 . . . . 0.0 111.627 -178.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -128.4 149.51 50.51 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.826 1.65 . . . . 0.0 111.627 174.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -79.65 108.91 13.56 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 172.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.01 -158.13 31.98 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.951 1.262 . . . . 0.0 112.126 171.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.76 -44.35 96.85 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.097 0.959 . . . . 0.0 112.83 -177.443 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -107.73 -9.52 15.79 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 -170.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 153.81 -159.54 28.78 Favored Glycine 0 N--CA 1.473 1.156 0 C-N-CA 125.227 1.394 . . . . 0.0 113.406 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -69.52 132.55 46.44 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.107 0.963 . . . . 0.0 112.596 174.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 72.8 m95 -133.25 139.2 46.81 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.372 1.469 . . . . 0.0 110.782 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -82.0 141.63 33.08 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.576 0.75 . . . . 0.0 111.799 -170.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -71.61 162.57 29.24 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.406 1.082 . . . . 0.0 113.712 171.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -78.41 148.28 33.69 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.81 0.844 . . . . 0.0 110.712 170.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.88 -19.96 65.47 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -178.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -63.26 -39.98 96.12 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.684 1.194 . . . . 0.0 111.525 170.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 66.0 m -92.36 -52.05 4.85 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 127.169 2.187 . . . . 0.0 112.162 -173.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 86.4 p -61.17 -30.09 70.19 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.089 0.859 . . . . 0.0 113.301 -173.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -29.78 70.73 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 174.348 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.0 -34.7 71.63 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.208 0.913 . . . . 0.0 110.387 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.0 mt -75.24 -43.35 52.07 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.003 1.721 . . . . 0.0 110.495 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -63.86 -30.89 71.93 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.543 1.537 . . . . 0.0 113.219 175.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -81.09 -33.42 33.36 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.155 -0.966 . . . . 0.0 111.546 -177.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.57 -50.84 71.93 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.002 1.321 . . . . 0.0 114.119 -173.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -68.55 -21.82 64.53 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 118.69 0.677 . . . . 0.0 112.317 175.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 t -79.96 -28.79 39.57 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.753 1.221 . . . . 0.0 112.406 175.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -76.77 -41.09 46.09 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.993 1.317 . . . . 0.0 111.992 173.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.63 -7.25 8.4 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 124.926 1.251 . . . . 0.0 114.379 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -67.35 151.3 47.71 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 118.904 1.352 . . . . 0.0 112.183 171.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -97.47 -2.08 42.79 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.8 1.24 . . . . 0.0 113.677 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -167.47 150.62 6.18 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.974 1.709 . . . . 0.0 110.669 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.3 t -141.63 179.98 6.51 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.724 1.609 . . . . 0.0 111.026 -176.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -129.59 146.97 51.35 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 125.344 1.458 . . . . 0.0 111.88 -172.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -156.26 155.19 31.92 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.131 1.373 . . . . 0.0 111.987 -176.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.59 142.42 35.37 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.9 1.68 . . . . 0.0 110.008 177.703 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -119.59 -152.82 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.885 1.274 . . . . 0.0 111.869 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.76 -16.22 15.79 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 178.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.72 15.57 0.03 OUTLIER Glycine 0 CA--C 1.533 1.195 0 N-CA-C 116.656 1.423 . . . . 0.0 116.656 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -150.5 152.19 33.83 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.83 1.315 . . . . 0.0 112.552 -169.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.07 125.83 35.97 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 169.168 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -118.67 134.16 55.32 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.963 0.905 . . . . 0.0 112.127 171.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 49.6 t -86.13 109.52 18.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 125.892 1.677 . . . . 0.0 108.272 174.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.5 99.93 8.29 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.573 1.549 . . . . 0.0 111.105 176.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -86.23 116.23 24.28 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.224 1.41 . . . . 0.0 110.876 175.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.8 mt -71.72 -32.3 67.63 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.022 1.329 . . . . 0.0 112.529 177.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -63.48 -48.63 76.86 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.467 1.107 . . . . 0.0 112.875 -171.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -101.08 -6.78 23.91 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.325 1.45 . . . . 0.0 112.087 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 58.99 65.27 1.24 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.857 2.063 . . . . 0.0 111.553 -174.093 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.8 m -145.01 160.89 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -175.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -121.19 132.32 54.76 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 127.953 2.501 . . . . 0.0 110.339 178.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -152.19 160.15 43.44 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.253 1.021 . . . . 0.0 113.681 176.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 -71.5 140.05 49.8 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.142 0.977 . . . . 0.0 111.116 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -49.06 -39.29 26.97 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.363 1.465 . . . . 0.0 114.517 -175.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -97.1 -0.57 46.87 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.044 1.337 . . . . 0.0 113.847 -176.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -147.16 60.54 1.18 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.98 1.312 . . . . 0.0 110.497 -169.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -61.41 -20.47 63.1 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -176.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.12 -12.28 75.64 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 125.497 1.522 . . . . 0.0 114.437 177.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.12 14.44 4.23 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 118.783 1.292 . . . . 0.0 113.475 177.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -56.19 146.2 24.06 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 116.448 2.018 . . . . 0.0 116.448 -168.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 -136.13 137.1 40.64 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 127.254 2.222 . . . . 0.0 110.838 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.85 147.85 51.12 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 -171.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.2 pt -135.65 170.98 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 126.752 2.021 . . . . 0.0 111.446 170.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.7 pttt -155.5 165.86 35.31 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.571 1.548 . . . . 0.0 112.823 173.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 30.0 mtp-105 -101.46 152.04 21.23 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.369 1.468 . . . . 0.0 109.623 166.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.31 178.04 10.21 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.141 1.376 . . . . 0.0 111.682 174.199 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.7 mm -128.52 139.46 51.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 125.485 1.514 . . . . 0.0 110.393 -176.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.716 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.0 mp -92.98 140.85 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.988 0.915 . . . . 0.0 110.448 171.034 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -104.48 -21.83 13.39 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.7 mm . . . . . 0 N--CA 1.486 1.364 0 C-N-CA 129.123 2.969 . . . . 0.0 111.85 176.269 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 CA--C 1.538 0.495 0 N-CA-C 111.589 0.218 . . . . 0.0 111.589 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.4 mt -77.93 179.17 6.91 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 123.065 1.412 . . . . 0.0 113.373 -173.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.9 m -89.85 155.88 47.44 Favored Pre-proline 0 CA--C 1.539 0.55 0 C-N-CA 126.653 1.981 . . . . 0.0 112.3 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -61.82 -20.32 68.79 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 124.113 3.209 . . . . 0.0 113.094 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -82.03 -33.37 30.02 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.232 1.013 . . . . 0.0 112.219 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -69.57 -48.67 59.5 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.921 1.288 . . . . 0.0 111.583 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 mt -63.73 -48.82 75.51 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 125.749 1.62 . . . . 0.0 109.948 -177.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -58.82 -41.49 86.98 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 118.753 -0.641 . . . . 0.0 112.58 171.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.714 0 CA-C-N 119.607 1.094 . . . . 0.0 112.651 177.591 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 N--CA 1.471 0.607 0 CA-C-O 119.472 -0.299 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -171.66 150.8 2.78 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.467 1.507 . . . . 0.0 112.911 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.719 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -153.51 153.45 32.46 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.244 1.418 . . . . 0.0 112.496 177.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -101.54 147.57 26.23 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.493 1.517 . . . . 0.0 110.595 169.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -139.82 150.98 45.34 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.821 1.248 . . . . 0.0 112.154 176.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -130.85 149.92 52.26 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.273 1.429 . . . . 0.0 111.986 175.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -76.6 110.56 11.27 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 120.753 0.311 . . . . 0.0 110.403 172.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -90.95 -147.65 19.71 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.268 1.413 . . . . 0.0 111.714 171.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -73.38 -40.7 64.13 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 122.023 -0.693 . . . . 0.0 112.733 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -108.95 -10.1 15.08 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 115.48 1.659 . . . . 0.0 115.48 -170.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 155.91 -160.29 29.92 Favored Glycine 0 N--CA 1.474 1.231 0 C-N-CA 125.044 1.307 . . . . 0.0 113.443 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -71.77 131.09 42.6 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.349 1.059 . . . . 0.0 111.915 174.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -131.02 140.86 50.17 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.845 1.258 . . . . 0.0 111.02 177.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -82.24 142.43 32.14 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.015 0.926 . . . . 0.0 111.203 -172.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -72.62 162.22 29.76 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -72.12 153.7 41.52 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.837 1.255 . . . . 0.0 111.943 170.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -69.44 -19.6 63.78 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.81 1.244 . . . . 0.0 113.368 -175.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.1 mmt85 -95.07 -13.4 25.19 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.232 1.013 . . . . 0.0 112.079 177.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.4 m -95.49 -53.61 3.68 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.854 1.262 . . . . 0.0 110.979 175.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 64.9 p -58.23 -30.22 66.35 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -178.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -28.85 70.31 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 175.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -71.56 -36.39 70.91 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 118.926 0.785 . . . . 0.0 110.064 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.5 mt -72.65 -41.84 65.01 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.935 1.694 . . . . 0.0 110.557 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -61.55 -33.24 73.5 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.999 1.32 . . . . 0.0 113.295 172.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -82.09 -34.19 29.43 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.274 -0.891 . . . . 0.0 111.249 -175.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.56 -50.37 73.81 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.996 1.318 . . . . 0.0 114.104 -174.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -67.63 -24.48 65.47 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.868 0.758 . . . . 0.0 112.026 175.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.0 t -76.87 -30.55 56.29 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.734 1.214 . . . . 0.0 112.504 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -75.55 -41.31 55.25 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.879 1.272 . . . . 0.0 111.894 174.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.72 -7.44 8.9 Favored Glycine 0 N--CA 1.469 0.888 0 C-N-CA 125.038 1.304 . . . . 0.0 113.952 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -65.84 151.03 47.6 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.05 1.425 . . . . 0.0 112.387 172.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -96.49 -2.51 45.08 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.871 1.269 . . . . 0.0 113.551 -178.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -169.03 152.2 5.06 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.263 1.825 . . . . 0.0 110.43 178.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.1 t -142.55 -179.12 6.11 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.469 1.507 . . . . 0.0 111.129 -176.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -130.96 146.52 52.39 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.32 1.448 . . . . 0.0 111.743 -170.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -155.34 152.93 29.74 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.925 1.29 . . . . 0.0 112.215 -174.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.66 143.07 34.33 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.892 1.677 . . . . 0.0 110.212 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.76 -152.52 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.983 1.313 . . . . 0.0 111.966 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.18 -15.63 15.88 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 178.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.45 15.01 0.03 OUTLIER Glycine 0 CA--C 1.534 1.276 0 N-CA-C 116.68 1.432 . . . . 0.0 116.68 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -150.1 150.5 31.78 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.857 1.328 . . . . 0.0 112.381 -169.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.51 126.08 35.8 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.67 1.188 . . . . 0.0 108.227 169.276 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -118.19 136.89 53.36 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.75 1.22 . . . . 0.0 112.503 173.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 41.0 t -92.47 109.11 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 C-N-CA 126.226 1.81 . . . . 0.0 108.517 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.447 ' HB2' HE22 ' A' ' 80' ' ' GLN . . . -81.55 101.91 10.27 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.606 1.562 . . . . 0.0 111.273 177.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -89.12 111.81 22.66 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.603 1.161 . . . . 0.0 110.684 177.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.7 mt -70.96 -26.7 63.28 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.562 1.545 . . . . 0.0 113.098 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -73.55 -46.39 47.81 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.9 0.88 . . . . 0.0 112.621 -172.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -101.13 -6.66 24.03 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.502 1.521 . . . . 0.0 112.107 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.4 mmt 57.92 64.83 1.43 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.772 2.029 . . . . 0.0 111.617 -175.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.9 m -145.02 157.45 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -177.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.447 HE22 ' HB2' ' A' ' 73' ' ' ALA . 36.5 mm-40 -120.5 129.58 53.9 Favored 'General case' 0 N--CA 1.461 0.108 0 C-N-CA 126.76 2.024 . . . . 0.0 110.82 176.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -148.63 157.91 43.78 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.705 1.202 . . . . 0.0 113.122 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.1 ttt-85 -73.06 143.13 47.57 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.583 1.153 . . . . 0.0 111.044 175.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.9 mtp85 -52.02 -32.87 35.93 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -173.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -86.18 -19.43 30.06 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -174.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.15 127.91 7.33 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 122.578 1.18 . . . . 0.0 113.399 -178.482 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 53.4 p-80 -82.94 -15.75 50.11 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.209 1.404 . . . . 0.0 114.067 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.1 -13.88 60.54 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.091 1.329 . . . . 0.0 115.011 -175.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -86.23 1.13 51.97 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.511 1.525 . . . . 0.0 113.475 173.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -54.37 128.77 33.03 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -168.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -112.29 132.89 54.71 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.87 2.068 . . . . 0.0 110.524 178.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -67.08 145.76 55.01 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.881 1.272 . . . . 0.0 113.354 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.5 pt -129.36 170.63 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.459 1.503 . . . . 0.0 111.462 174.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -152.05 165.18 35.51 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.692 1.197 . . . . 0.0 112.767 178.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 61.3 mtp85 -106.1 142.31 36.01 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 126.107 1.763 . . . . 0.0 109.063 169.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -149.57 179.99 7.54 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.786 1.234 . . . . 0.0 112.235 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.0 mm -129.48 139.83 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.916 1.686 . . . . 0.0 110.263 -175.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.719 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.4 mp -90.4 141.56 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.232 1.013 . . . . 0.0 110.521 172.461 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -99.78 -22.98 15.13 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.7 mm . . . . . 0 N--CA 1.487 1.376 0 C-N-CA 128.836 2.854 . . . . 0.0 112.46 175.719 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.543 0.683 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.4 mt -90.61 -178.91 5.42 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.828 1.251 . . . . 0.0 112.518 -177.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.6 m -89.77 156.27 47.41 Favored Pre-proline 0 CA--C 1.54 0.587 0 C-N-CA 126.329 1.852 . . . . 0.0 111.656 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -61.96 -21.36 72.19 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 124.09 3.193 . . . . 0.0 113.053 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -79.88 -32.81 40.36 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.315 1.046 . . . . 0.0 112.275 176.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -69.38 -48.22 61.83 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.944 1.298 . . . . 0.0 111.956 -174.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 mt -65.04 -41.9 94.78 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.781 1.632 . . . . 0.0 110.261 -176.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -63.64 -46.46 85.54 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.511 0.724 . . . . 0.0 111.826 170.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.64 0 CA-C-N 119.236 0.925 . . . . 0.0 113.327 -178.334 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.537 0.473 0 CA-C-O 120.625 0.25 . . . . 0.0 111.531 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -171.3 152.23 3.3 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.85 1.66 . . . . 0.0 111.807 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.736 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -151.49 145.67 25.35 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.871 1.668 . . . . 0.0 110.019 175.453 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 27.6 m95 -107.34 147.8 29.84 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.515 1.126 . . . . 0.0 110.063 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -138.23 150.08 46.37 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.984 1.314 . . . . 0.0 111.934 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -137.18 155.79 49.12 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.539 1.536 . . . . 0.0 111.854 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -76.75 117.22 18.15 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.041 0.448 . . . . 0.0 111.85 175.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -104.74 -161.86 24.04 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.259 1.409 . . . . 0.0 112.165 169.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -61.77 -45.03 95.66 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.057 0.943 . . . . 0.0 112.735 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -106.69 -7.38 17.33 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -169.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 155.32 -159.2 28.98 Favored Glycine 0 N--CA 1.473 1.12 0 C-N-CA 125.026 1.298 . . . . 0.0 113.393 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -77.51 132.79 38.56 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.308 1.043 . . . . 0.0 111.661 175.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -131.81 144.58 51.02 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.804 1.242 . . . . 0.0 111.264 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -84.01 141.86 30.89 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.027 0.931 . . . . 0.0 111.236 -173.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -71.2 161.73 30.61 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 169.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -74.02 150.75 40.5 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.778 0.831 . . . . 0.0 111.171 169.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.49 -22.08 66.86 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -177.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -68.79 -39.5 80.1 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 121.362 -0.836 . . . . 0.0 111.349 170.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.2 m -82.06 -53.17 6.33 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.691 1.597 . . . . 0.0 112.524 -176.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.1 p -61.53 -31.53 71.55 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -171.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -28.35 69.87 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-O 118.899 -0.572 . . . . 0.0 112.263 175.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -70.46 -36.76 74.1 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.301 0.955 . . . . 0.0 110.304 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.2 mt -71.22 -43.07 68.05 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.892 1.677 . . . . 0.0 110.437 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -64.13 -33.0 74.77 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.604 1.562 . . . . 0.0 113.111 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -82.2 -33.37 29.42 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.114 -0.991 . . . . 0.0 111.519 -176.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.93 -48.63 79.35 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.894 1.278 . . . . 0.0 113.854 -177.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -69.73 -21.33 63.47 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 118.658 0.663 . . . . 0.0 112.499 175.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 t -80.46 -30.55 37.49 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.686 1.195 . . . . 0.0 112.428 175.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -74.46 -45.7 44.47 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.025 1.33 . . . . 0.0 111.303 176.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.65 -7.63 6.96 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 125.119 1.342 . . . . 0.0 114.034 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -66.63 151.53 47.16 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 118.87 1.335 . . . . 0.0 112.362 171.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -96.82 -3.24 42.54 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.819 1.248 . . . . 0.0 113.552 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -168.03 151.16 5.77 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 126.199 1.8 . . . . 0.0 110.301 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.9 t -140.2 179.04 6.86 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.386 1.474 . . . . 0.0 111.104 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -131.37 145.55 51.88 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 125.19 1.396 . . . . 0.0 111.581 -170.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -154.18 150.67 28.35 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.73 1.212 . . . . 0.0 112.107 -174.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.41 141.96 35.05 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.828 1.651 . . . . 0.0 109.786 177.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -118.12 -150.14 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.785 1.234 . . . . 0.0 111.499 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.43 -15.31 25.2 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 177.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.63 12.83 0.03 OUTLIER Glycine 0 CA--C 1.536 1.383 0 N-CA-C 116.883 1.513 . . . . 0.0 116.883 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -148.67 150.53 33.36 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.908 1.354 . . . . 0.0 112.408 -169.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.64 125.32 35.2 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.639 1.176 . . . . 0.0 108.511 169.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -117.21 134.75 54.42 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.659 1.183 . . . . 0.0 111.775 172.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.7 t -91.86 109.92 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 125.982 1.713 . . . . 0.0 108.37 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.483 ' HB2' HE22 ' A' ' 80' ' ' GLN . . . -82.44 98.72 9.04 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.909 1.684 . . . . 0.0 111.147 179.12 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -86.72 113.35 22.5 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.667 1.187 . . . . 0.0 110.886 177.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.5 mt -72.21 -26.54 62.09 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.3 1.44 . . . . 0.0 112.934 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -69.44 -46.99 65.45 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.913 0.885 . . . . 0.0 112.61 -173.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -101.19 -6.85 23.71 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.397 1.479 . . . . 0.0 112.086 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.1 mmt 58.46 63.18 1.77 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.892 2.077 . . . . 0.0 111.321 -173.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 35.4 m -142.68 153.68 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -177.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.483 HE22 ' HB2' ' A' ' 73' ' ' ALA . 50.7 mm-40 -106.32 140.21 39.61 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 125.971 1.708 . . . . 0.0 110.849 169.227 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -152.29 156.27 39.32 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.999 1.32 . . . . 0.0 112.401 169.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -74.83 142.98 44.13 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.536 1.135 . . . . 0.0 110.733 176.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 74.4 mtp85 -53.39 -27.69 25.42 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -71.42 -24.7 62.09 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -178.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -164.51 128.93 2.61 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.675 1.19 . . . . 0.0 111.927 175.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 52.8 p-80 -80.81 -15.59 56.0 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.436 1.272 . . . . 0.0 114.436 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.41 -64.33 4.22 Favored Glycine 0 N--CA 1.471 0.985 0 C-N-CA 125.893 1.711 . . . . 0.0 112.206 -174.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -66.15 119.22 11.07 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 117.611 0.705 . . . . 0.0 109.175 169.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -151.62 162.87 40.27 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.412 1.485 . . . . 0.0 112.244 -172.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -135.78 127.11 28.39 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.459 1.503 . . . . 0.0 110.762 -174.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.09 146.07 54.82 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.294 1.037 . . . . 0.0 112.895 177.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.4 pt -132.24 170.02 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.635 1.574 . . . . 0.0 111.299 176.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -155.31 165.84 35.39 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.852 1.261 . . . . 0.0 112.585 -179.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.2 mtp-105 -110.44 150.59 28.63 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.385 1.474 . . . . 0.0 110.902 169.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -145.72 167.18 23.77 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.203 2.201 . . . . 0.0 110.429 175.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.8 mm -121.4 135.87 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.024 1.33 . . . . 0.0 109.997 -178.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.736 HD11 ' HB2' ' A' ' 31' ' ' ALA . 4.9 mp -90.4 140.87 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 123.978 0.911 . . . . 0.0 110.634 171.73 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -102.98 -24.59 13.64 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.6 mm . . . . . 0 N--CA 1.486 1.342 0 C-N-CA 128.88 2.872 . . . . 0.0 111.677 177.076 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 CA--C 1.543 0.705 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.1 mt -86.44 -173.54 4.58 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.862 1.265 . . . . 0.0 112.422 -178.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.9 m -101.85 157.88 32.84 Favored Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 126.651 1.98 . . . . 0.0 111.812 -178.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -60.62 -25.96 81.9 Favored 'Trans proline' 0 CA--C 1.535 0.529 0 C-N-CA 123.7 2.933 . . . . 0.0 112.981 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -85.27 -11.49 54.64 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.555 1.142 . . . . 0.0 113.907 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -86.47 -51.34 6.26 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.69 1.196 . . . . 0.0 110.683 173.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mt -61.54 -50.57 72.12 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 125.003 1.321 . . . . 0.0 110.742 -176.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -63.66 -14.84 55.69 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 175.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.679 0 C-N-CA 124.299 1.04 . . . . 0.0 111.764 172.682 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.537 0.47 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -171.96 151.9 2.84 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.812 1.645 . . . . 0.0 112.745 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.706 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -156.01 151.39 26.84 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.339 1.456 . . . . 0.0 112.396 177.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 62.4 m95 -97.44 146.8 24.86 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.503 1.121 . . . . 0.0 111.318 171.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -136.67 160.83 37.63 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.955 1.702 . . . . 0.0 111.958 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -138.56 149.22 45.08 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.139 1.776 . . . . 0.0 111.315 174.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -79.67 111.86 16.37 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.671 0.669 . . . . 0.0 110.334 171.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -91.16 -152.1 27.63 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.249 1.404 . . . . 0.0 111.859 170.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -67.18 -41.97 85.01 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.766 0.826 . . . . 0.0 112.862 -178.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -106.73 -9.4 16.47 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 -170.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 153.46 -162.38 30.24 Favored Glycine 0 N--CA 1.473 1.111 0 C-N-CA 125.282 1.42 . . . . 0.0 113.079 178.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -67.99 131.82 46.17 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.824 0.85 . . . . 0.0 112.175 173.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.4 m95 -132.19 141.2 48.99 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.689 1.595 . . . . 0.0 110.684 177.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -77.79 139.37 39.33 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.166 0.586 . . . . 0.0 110.933 -175.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -67.89 153.03 44.6 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 171.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -66.76 152.56 45.28 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.051 0.94 . . . . 0.0 111.34 170.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -69.85 -18.06 63.41 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.749 0.82 . . . . 0.0 113.021 -175.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -82.84 -16.9 45.87 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.916 0.887 . . . . 0.0 112.305 172.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.1 m -100.38 -50.77 3.82 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.774 1.63 . . . . 0.0 111.735 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.6 p -61.02 -27.68 68.5 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -28.98 69.97 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 173.279 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.09 -39.5 72.09 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.937 0.79 . . . . 0.0 109.712 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.0 mt -70.04 -43.6 70.96 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.982 1.713 . . . . 0.0 110.855 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -57.32 -45.55 84.11 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.587 1.555 . . . . 0.0 111.969 171.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -72.7 -37.43 67.83 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.755 0.822 . . . . 0.0 110.532 -173.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.48 -50.05 71.2 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.396 1.478 . . . . 0.0 114.012 -178.071 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.14 -21.67 63.99 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.939 0.79 . . . . 0.0 111.659 176.591 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.6 t -79.19 -32.93 44.25 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.663 1.185 . . . . 0.0 112.865 174.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -72.92 -43.08 62.82 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.247 1.419 . . . . 0.0 111.585 175.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.49 -7.18 8.49 Favored Glycine 0 C--N 1.341 0.815 0 C-N-CA 124.952 1.263 . . . . 0.0 114.129 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -65.26 151.28 46.57 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.174 1.487 . . . . 0.0 112.317 173.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -98.9 -0.14 42.93 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.035 1.334 . . . . 0.0 113.211 -174.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -170.69 145.37 2.48 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.7 2.0 . . . . 0.0 109.592 176.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 t -135.57 177.1 8.08 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.305 1.042 . . . . 0.0 112.279 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -123.01 147.33 46.77 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.658 1.583 . . . . 0.0 111.549 -172.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.2 ptt? -153.67 148.76 26.8 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.147 1.379 . . . . 0.0 111.975 -173.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.67 142.1 35.26 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 125.843 1.657 . . . . 0.0 110.089 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.62 -153.05 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.835 1.254 . . . . 0.0 111.987 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.03 -15.99 16.28 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.4 15.2 0.03 OUTLIER Glycine 0 CA--C 1.535 1.292 0 N-CA-C 116.624 1.41 . . . . 0.0 116.624 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -150.16 152.4 34.62 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.712 1.256 . . . . 0.0 112.297 -169.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.35 125.54 36.14 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.827 1.251 . . . . 0.0 108.362 169.544 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -116.62 135.79 53.51 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.599 1.16 . . . . 0.0 111.283 170.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.9 t -89.71 121.72 40.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 C-N-CA 125.847 1.659 . . . . 0.0 106.961 171.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.13 118.82 33.48 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.955 1.302 . . . . 0.0 109.451 174.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -90.29 110.88 21.92 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.018 1.727 . . . . 0.0 109.89 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.1 mp -84.51 -6.81 59.4 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.045 1.338 . . . . 0.0 112.371 -176.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -84.09 -53.0 5.84 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.303 0.956 . . . . 0.0 111.576 173.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -95.66 -8.25 35.28 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.039 1.736 . . . . 0.0 112.22 -170.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 6.7 mmt 54.75 58.87 4.46 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.438 1.895 . . . . 0.0 111.656 -173.691 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.5 m -135.58 175.76 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 124.792 1.237 . . . . 0.0 111.114 173.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.98 147.23 28.33 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.752 1.221 . . . . 0.0 111.577 173.067 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -158.33 158.36 34.18 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.992 1.717 . . . . 0.0 111.985 -171.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.4 ttt-85 -66.76 152.26 45.84 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 120.989 -1.069 . . . . 0.0 110.872 169.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.6 mtp85 -51.81 -31.05 25.79 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 -172.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -98.43 -2.08 39.91 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 125.024 1.33 . . . . 0.0 114.267 178.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -102.98 147.28 27.14 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.012 2.125 . . . . 0.0 111.634 -169.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 28.6 p80 -149.06 -33.49 0.21 Allowed 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 174.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.51 -8.24 87.12 Favored Glycine 0 N--CA 1.476 1.334 0 C-N-CA 124.545 1.069 . . . . 0.0 115.006 -178.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.11 17.35 10.8 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.236 1.814 . . . . 0.0 112.716 -177.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 35.8 ptt-85 -54.25 139.85 34.75 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.464 1.506 . . . . 0.0 112.773 177.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -105.65 139.33 40.4 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.092 1.757 . . . . 0.0 109.827 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -65.62 146.06 55.28 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 175.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.4 pt -125.94 167.21 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.456 1.502 . . . . 0.0 109.876 167.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -155.86 170.1 22.89 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.738 1.215 . . . . 0.0 112.313 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -114.72 138.94 50.11 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.648 1.579 . . . . 0.0 109.099 168.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.92 -177.39 5.19 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.304 1.842 . . . . 0.0 111.273 -175.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.5 mm -129.51 137.98 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 125.368 1.467 . . . . 0.0 110.858 -173.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.706 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.1 mp -91.49 140.58 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.441 1.096 . . . . 0.0 110.62 170.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -99.26 -23.7 15.1 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.5 mm . . . . . 0 N--CA 1.488 1.436 0 C-N-CA 128.726 2.81 . . . . 0.0 112.46 174.774 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 CA--C 1.538 0.49 0 N-CA-C 111.367 0.136 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.0 mt -81.78 -177.83 6.72 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 122.929 1.347 . . . . 0.0 113.035 -175.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 m -102.6 159.36 29.58 Favored Pre-proline 0 CA--C 1.541 0.627 0 C-N-CA 126.931 2.093 . . . . 0.0 111.972 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -60.55 -25.26 80.32 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 124.129 3.22 . . . . 0.0 113.096 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -85.55 -11.18 54.72 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.517 1.127 . . . . 0.0 114.026 176.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -87.71 -51.66 5.75 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.832 1.253 . . . . 0.0 111.168 174.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.4 mt -60.86 -46.76 89.3 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.787 1.635 . . . . 0.0 110.786 -176.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -63.63 -38.51 91.4 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 172.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.619 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -179.099 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.537 0.448 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -170.17 152.34 4.18 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.309 1.444 . . . . 0.0 112.417 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.69 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -153.4 157.37 39.86 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.925 1.69 . . . . 0.0 110.331 176.433 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -118.0 146.7 43.84 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 124.544 1.138 . . . . 0.0 109.737 172.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -135.91 156.37 48.88 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.745 1.218 . . . . 0.0 111.574 -178.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -136.89 148.25 46.94 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.507 1.523 . . . . 0.0 111.314 175.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -79.19 108.7 12.89 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 122.048 -0.407 . . . . 0.0 110.333 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -91.72 -150.4 25.47 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.282 1.42 . . . . 0.0 112.243 173.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -63.59 -43.89 95.62 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.946 0.898 . . . . 0.0 112.728 -178.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -111.42 -14.92 13.67 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 -169.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 162.17 -160.51 32.63 Favored Glycine 0 N--CA 1.473 1.148 0 C-N-CA 125.039 1.304 . . . . 0.0 113.293 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -67.74 130.81 44.16 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.915 0.886 . . . . 0.0 112.359 173.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -130.71 141.05 50.38 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.564 1.546 . . . . 0.0 110.113 176.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -82.37 138.69 34.41 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.458 0.703 . . . . 0.0 111.107 -171.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -66.77 153.67 42.73 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.659 0.784 . . . . 0.0 112.583 169.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -64.31 150.41 46.17 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.858 0.863 . . . . 0.0 111.74 172.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -64.98 -24.38 67.5 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -174.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -83.19 -16.47 46.46 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.456 0.702 . . . . 0.0 111.814 175.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.2 m -95.93 -51.56 4.41 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.564 1.545 . . . . 0.0 111.667 178.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.2 p -61.13 -30.52 70.43 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.472 -0.768 . . . . 0.0 113.05 -177.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -25.76 68.5 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 174.114 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -76.92 -40.01 48.74 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.532 0.605 . . . . 0.0 109.728 178.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.2 mt -65.68 -44.71 85.39 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.474 1.51 . . . . 0.0 110.668 176.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -62.31 -30.12 70.92 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.198 1.399 . . . . 0.0 112.77 175.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -81.82 -29.71 32.5 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.21 -0.931 . . . . 0.0 111.362 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.78 -45.74 73.99 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -173.025 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -70.84 -18.57 62.71 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.661 0.664 . . . . 0.0 111.966 174.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.7 t -83.11 -32.19 26.85 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.739 1.216 . . . . 0.0 112.395 175.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -73.23 -42.45 62.57 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.995 1.318 . . . . 0.0 111.754 174.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.35 -7.14 9.15 Favored Glycine 0 C--N 1.343 0.919 0 C-N-CA 124.946 1.26 . . . . 0.0 114.025 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -65.87 151.75 46.0 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.094 1.447 . . . . 0.0 112.626 174.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -95.85 -5.21 42.19 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.262 1.425 . . . . 0.0 113.283 -175.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -168.48 143.61 3.47 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.56 1.944 . . . . 0.0 109.71 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 t -132.0 172.1 12.77 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.144 0.977 . . . . 0.0 112.332 176.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -120.19 146.12 46.32 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 126.042 1.737 . . . . 0.0 111.262 -173.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.5 ptt? -152.05 147.83 26.97 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.872 1.269 . . . . 0.0 112.374 -173.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.77 142.75 33.38 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.79 1.636 . . . . 0.0 110.169 177.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.87 -151.87 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.075 1.35 . . . . 0.0 111.897 -179.414 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.23 -17.17 25.64 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 115.516 1.673 . . . . 0.0 115.516 178.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.56 15.7 0.03 OUTLIER Glycine 0 CA--C 1.534 1.241 0 N-CA-C 116.586 1.395 . . . . 0.0 116.586 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -149.9 152.86 35.74 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.79 1.295 . . . . 0.0 112.303 -169.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.52 124.5 37.56 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.633 1.173 . . . . 0.0 108.102 169.392 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -114.74 136.75 52.73 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.854 1.262 . . . . 0.0 111.294 171.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.2 t -90.34 122.25 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 170.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.42 109.48 21.66 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.53 1.132 . . . . 0.0 108.702 170.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -86.62 121.7 29.51 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.701 1.201 . . . . 0.0 109.943 174.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.4 mp -88.76 -13.32 39.8 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.017 1.327 . . . . 0.0 112.581 -173.147 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -86.32 -40.72 15.19 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.757 1.223 . . . . 0.0 112.355 -176.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -96.62 -11.72 24.89 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.819 1.648 . . . . 0.0 111.318 175.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 54.82 67.47 1.01 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.775 2.03 . . . . 0.0 111.361 -172.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.6 m -142.89 165.99 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.935 0.894 . . . . 0.0 112.316 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -121.66 149.77 42.72 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.343 1.457 . . . . 0.0 111.245 170.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -164.63 161.03 20.68 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.018 1.727 . . . . 0.0 112.438 175.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -70.61 150.88 45.58 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 121.067 -1.02 . . . . 0.0 110.384 169.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.0 mtp-105 -55.33 -24.7 30.36 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 -171.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -98.17 -2.07 40.72 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 126.292 1.837 . . . . 0.0 114.821 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -124.0 156.16 36.95 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.538 1.535 . . . . 0.0 112.718 -168.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -150.62 -30.75 0.19 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.032 1.333 . . . . 0.0 113.632 176.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.61 -10.93 83.06 Favored Glycine 0 N--CA 1.475 1.266 0 O-C-N 120.895 -1.128 . . . . 0.0 114.9 -173.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -121.32 15.92 11.37 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.181 1.792 . . . . 0.0 112.234 -178.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 35.3 ptt-85 -51.15 146.16 6.89 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.236 1.814 . . . . 0.0 113.296 176.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -113.33 140.67 47.83 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.318 1.447 . . . . 0.0 110.516 176.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -65.52 142.22 58.2 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.513 1.125 . . . . 0.0 113.155 177.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.5 pt -124.71 169.1 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.071 1.348 . . . . 0.0 110.614 169.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.9 pttt -155.82 165.73 35.63 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.274 1.43 . . . . 0.0 112.946 174.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.1 mtp-105 -99.98 152.06 20.62 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.005 1.322 . . . . 0.0 109.288 165.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -152.3 178.33 9.63 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.273 1.429 . . . . 0.0 111.37 173.123 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.0 mm -130.5 139.15 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 125.331 1.452 . . . . 0.0 110.363 -174.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.69 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.0 mp -92.98 140.97 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.079 0.952 . . . . 0.0 110.524 171.472 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -105.86 -18.94 13.89 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.4 mm . . . . . 0 N--CA 1.486 1.357 0 C-N-CA 129.192 2.997 . . . . 0.0 111.843 176.149 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 CA--C 1.541 0.605 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.3 mt -86.91 -177.25 6.03 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.065 1.346 . . . . 0.0 112.521 -176.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 m -95.74 158.34 34.51 Favored Pre-proline 0 CA--C 1.538 0.494 0 C-N-CA 126.236 1.815 . . . . 0.0 111.711 175.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -57.69 -30.37 88.71 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 123.263 2.642 . . . . 0.0 112.074 174.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -78.37 -12.79 60.03 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.745 1.218 . . . . 0.0 113.474 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -88.19 -50.99 6.02 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 125.145 1.378 . . . . 0.0 110.525 174.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 mt -63.04 -49.11 75.88 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.08 1.352 . . . . 0.0 110.684 -177.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -65.65 -11.93 49.02 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.139 1.162 . . . . 0.0 114.139 175.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.685 0 C-N-CA 124.294 1.037 . . . . 0.0 112.068 171.796 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.535 0.37 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -171.39 152.13 3.22 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.807 1.643 . . . . 0.0 112.755 178.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.701 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -154.92 146.29 22.99 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.26 1.424 . . . . 0.0 112.112 179.069 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.1 m95 -92.05 146.67 23.54 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.443 1.097 . . . . 0.0 112.043 173.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -138.22 157.45 46.25 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.737 1.615 . . . . 0.0 112.258 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -138.78 149.49 45.05 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.014 1.725 . . . . 0.0 111.159 174.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -78.87 118.68 21.13 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.461 0.573 . . . . 0.0 110.662 171.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.99 -154.6 27.77 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 125.203 1.382 . . . . 0.0 111.334 169.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -64.08 -42.83 96.83 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.206 1.002 . . . . 0.0 113.155 -178.02 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -106.6 -7.26 17.49 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 -170.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 151.69 -162.16 29.54 Favored Glycine 0 N--CA 1.473 1.121 0 C-N-CA 125.245 1.403 . . . . 0.0 113.165 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -70.56 133.36 46.67 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.946 0.899 . . . . 0.0 111.888 173.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.8 m95 -132.3 141.44 48.98 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.562 1.545 . . . . 0.0 110.75 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -80.43 140.54 35.94 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.652 0.781 . . . . 0.0 110.859 -174.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -70.21 156.65 38.94 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 173.068 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -76.23 156.11 33.84 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.975 0.91 . . . . 0.0 110.953 170.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -68.54 -19.59 64.51 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.419 1.087 . . . . 0.0 113.792 -177.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -67.49 -33.52 75.28 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.81 0.844 . . . . 0.0 111.734 170.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.6 m -95.33 -52.0 4.35 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 127.169 2.188 . . . . 0.0 112.454 -171.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.3 p -61.07 -27.97 68.74 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.099 0.863 . . . . 0.0 113.168 -176.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -29.23 68.0 Favored 'General case' 0 C--N 1.345 0.386 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 173.147 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -72.6 -32.95 66.37 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.859 0.754 . . . . 0.0 110.693 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 39.0 mt -81.97 -44.49 16.65 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.703 1.601 . . . . 0.0 111.437 -172.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -67.39 -24.5 65.68 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 175.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -83.12 -36.24 24.96 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.459 1.104 . . . . 0.0 111.089 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.39 82.03 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.841 1.257 . . . . 0.0 113.993 -176.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -68.88 -21.49 64.24 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.957 0.799 . . . . 0.0 112.416 175.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.2 t -80.44 -29.76 37.58 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.617 1.167 . . . . 0.0 112.538 175.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -76.83 -41.9 42.43 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.925 1.29 . . . . 0.0 111.96 175.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 122.92 -7.47 9.37 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 125.097 1.332 . . . . 0.0 114.064 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -65.68 151.29 46.88 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.947 1.373 . . . . 0.0 112.322 172.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.6 pttp -99.11 0.26 43.19 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.953 1.301 . . . . 0.0 113.483 -177.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -171.39 153.42 3.56 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.686 1.995 . . . . 0.0 109.915 177.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.5 t -147.03 172.4 13.79 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.548 1.539 . . . . 0.0 111.271 -172.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -121.31 148.34 44.46 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.21 1.404 . . . . 0.0 111.821 -171.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -153.95 147.45 25.05 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.184 1.394 . . . . 0.0 112.02 -174.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.31 142.56 33.99 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.811 1.644 . . . . 0.0 109.929 176.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -121.67 -153.25 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.688 1.195 . . . . 0.0 111.87 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.87 -15.81 14.39 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 115.577 1.695 . . . . 0.0 115.577 177.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.85 16.36 0.03 OUTLIER Glycine 0 CA--C 1.534 1.232 0 N-CA-C 116.922 1.529 . . . . 0.0 116.922 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -149.77 152.52 35.37 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.746 1.273 . . . . 0.0 111.991 -169.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.96 124.86 38.24 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 169.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -117.8 139.17 51.45 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.621 1.168 . . . . 0.0 111.585 172.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.2 t -94.02 119.44 41.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 126.467 1.907 . . . . 0.0 107.075 173.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.73 126.08 39.81 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.103 1.361 . . . . 0.0 109.772 174.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -108.53 111.75 23.76 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.338 1.855 . . . . 0.0 110.234 -169.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 31.6 mt -78.19 -17.49 56.71 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.8 1.24 . . . . 0.0 113.222 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -71.97 -51.68 20.79 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.969 0.908 . . . . 0.0 111.867 -178.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -102.6 -10.16 19.51 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.45 1.9 . . . . 0.0 112.023 -175.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 57.01 64.89 1.52 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.828 2.051 . . . . 0.0 111.479 -174.222 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.0 m -143.43 176.1 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 126.418 1.887 . . . . 0.0 110.622 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -149.34 147.49 28.39 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.295 1.038 . . . . 0.0 112.104 173.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -158.33 165.16 35.43 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.322 1.849 . . . . 0.0 112.976 -169.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -71.57 148.13 46.95 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 120.757 -1.214 . . . . 0.0 111.857 170.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -50.63 -33.84 23.91 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.528 1.131 . . . . 0.0 113.627 174.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -88.64 -12.06 43.62 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -172.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -159.4 111.69 2.14 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 122.437 1.113 . . . . 0.0 112.067 -173.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.6 p-80 -84.66 -18.02 36.7 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.817 1.247 . . . . 0.0 113.517 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.21 -12.75 72.65 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 125.203 1.382 . . . . 0.0 114.476 -178.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -94.6 9.59 38.08 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.646 1.578 . . . . 0.0 113.517 174.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -56.49 142.82 37.49 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -173.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -123.13 145.59 48.46 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.466 1.906 . . . . 0.0 109.97 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -65.04 146.2 55.33 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.729 1.212 . . . . 0.0 114.076 -178.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 14.3 pt -129.12 163.83 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.162 1.385 . . . . 0.0 110.526 168.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 48.2 pttt -155.46 171.61 19.62 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.234 1.414 . . . . 0.0 112.269 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 58.2 mtm180 -115.51 142.29 46.92 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.05 1.34 . . . . 0.0 109.05 167.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -138.47 -179.14 5.63 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.225 1.81 . . . . 0.0 111.019 -179.553 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.7 mm -128.26 137.36 57.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.857 1.263 . . . . 0.0 110.851 -172.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.701 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.0 mp -90.78 140.01 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 124.346 1.058 . . . . 0.0 110.465 170.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -101.93 -22.81 14.24 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 23.0 mm . . . . . 0 N--CA 1.487 1.38 0 C-N-CA 128.8 2.84 . . . . 0.0 112.127 177.143 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 CA--C 1.538 0.512 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.7 mt -76.49 178.62 6.47 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 122.962 1.363 . . . . 0.0 113.085 -178.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.0 m -88.06 155.68 52.25 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 126.499 1.92 . . . . 0.0 111.78 175.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -61.94 -21.25 71.95 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 123.914 3.076 . . . . 0.0 113.039 177.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -80.97 -32.77 34.26 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.315 1.046 . . . . 0.0 112.241 177.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -68.18 -48.8 64.29 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.918 1.287 . . . . 0.0 111.626 -176.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 mt -65.17 -46.53 80.47 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.811 1.644 . . . . 0.0 110.113 -177.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -61.34 -40.42 94.18 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.541 0.736 . . . . 0.0 112.193 173.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.61 0 CA-C-N 119.604 1.093 . . . . 0.0 112.515 176.78 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 CA--C 1.534 0.357 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -170.58 151.74 3.68 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.624 1.569 . . . . 0.0 112.934 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.661 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -150.77 159.32 44.61 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.548 1.539 . . . . 0.0 110.998 176.27 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 45.3 m95 -123.51 146.75 47.84 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 124.948 1.299 . . . . 0.0 109.865 170.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -134.87 158.3 44.6 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.808 1.243 . . . . 0.0 111.651 -178.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -139.48 153.07 47.45 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.117 1.767 . . . . 0.0 110.646 176.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -78.92 108.05 12.1 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.418 0.554 . . . . 0.0 110.618 171.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.51 -154.36 30.94 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 125.937 1.732 . . . . 0.0 112.779 175.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -55.37 -48.05 74.88 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.002 1.321 . . . . 0.0 112.918 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -114.54 -11.48 12.41 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -169.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 161.02 -160.93 32.49 Favored Glycine 0 N--CA 1.473 1.13 0 C-N-CA 124.922 1.249 . . . . 0.0 113.238 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -66.63 127.52 32.72 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.897 0.879 . . . . 0.0 112.205 174.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -130.35 143.53 50.83 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.989 1.316 . . . . 0.0 110.864 175.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -80.79 138.87 36.27 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.381 0.672 . . . . 0.0 110.846 -175.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -67.0 156.78 35.1 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.43 0.692 . . . . 0.0 112.71 170.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -71.59 156.07 39.82 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.281 0.633 . . . . 0.0 110.967 171.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.72 -20.06 65.21 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.326 1.05 . . . . 0.0 113.685 -176.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -67.05 -35.33 79.63 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.808 0.843 . . . . 0.0 111.602 170.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.9 m -94.81 -49.59 5.52 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 126.795 2.038 . . . . 0.0 112.514 -170.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 94.3 p -63.3 -27.41 69.31 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 -175.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -29.63 70.79 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.927 -0.483 . . . . 0.0 112.256 173.021 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.35 -37.23 74.6 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.204 0.911 . . . . 0.0 110.042 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.8 mt -71.43 -45.29 63.07 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.821 1.648 . . . . 0.0 110.834 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -60.84 -39.4 88.94 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.58 1.152 . . . . 0.0 112.532 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -73.91 -36.91 64.77 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 121.672 0.749 . . . . 0.0 110.368 -174.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.09 -50.28 72.55 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.675 1.59 . . . . 0.0 114.124 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -70.2 -18.15 63.17 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.965 0.802 . . . . 0.0 111.968 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.3 t -84.1 -30.21 26.15 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.035 1.334 . . . . 0.0 112.716 175.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -74.57 -43.35 56.12 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.115 1.366 . . . . 0.0 111.539 175.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.49 -7.28 8.48 Favored Glycine 0 C--N 1.34 0.793 0 C-N-CA 124.757 1.17 . . . . 0.0 114.274 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -65.26 150.9 47.44 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.113 1.457 . . . . 0.0 112.172 173.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -98.46 -1.76 40.59 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.084 1.354 . . . . 0.0 113.067 -174.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -169.55 146.89 3.45 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.498 1.919 . . . . 0.0 109.974 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 t -137.57 179.24 6.53 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.74 1.216 . . . . 0.0 112.091 178.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -124.19 149.7 46.06 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.725 1.61 . . . . 0.0 112.187 -172.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.3 ptt? -157.17 148.62 22.13 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.16 1.384 . . . . 0.0 112.434 -174.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.09 144.54 31.16 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.086 1.754 . . . . 0.0 110.147 177.213 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.84 -151.71 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.851 1.26 . . . . 0.0 112.196 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.58 -17.48 22.17 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.95 17.18 0.03 OUTLIER Glycine 0 CA--C 1.532 1.121 0 N-CA-C 116.633 1.413 . . . . 0.0 116.633 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -149.69 150.98 32.93 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.779 1.289 . . . . 0.0 112.221 -170.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.15 124.57 35.47 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 168.384 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -114.3 134.38 54.99 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.52 1.128 . . . . 0.0 111.617 171.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 32.3 t -87.1 116.71 29.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 169.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.85 112.31 23.1 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.699 1.2 . . . . 0.0 108.913 173.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -87.65 111.57 21.42 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.184 1.394 . . . . 0.0 110.152 177.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.8 mp -81.41 -18.74 44.37 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.521 1.128 . . . . 0.0 111.74 -178.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -62.71 -52.73 62.11 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.872 0.869 . . . . 0.0 112.435 176.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -103.68 -5.12 22.9 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.355 1.462 . . . . 0.0 112.313 -174.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.4 mmt 56.34 59.09 3.82 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.151 1.78 . . . . 0.0 111.006 -171.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.43 176.09 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 124.708 1.203 . . . . 0.0 110.431 174.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.51 158.78 43.39 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 124.626 1.17 . . . . 0.0 110.737 171.229 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -166.67 165.06 16.75 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.953 1.701 . . . . 0.0 112.514 -175.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 -71.57 153.29 42.25 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.062 -1.024 . . . . 0.0 111.793 173.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 62.3 mtp85 -58.33 -23.11 55.62 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 171.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -67.16 -34.6 77.89 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.745 1.218 . . . . 0.0 113.687 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -168.1 141.65 3.27 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.096 1.358 . . . . 0.0 112.167 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -76.5 -11.44 59.88 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.742 1.217 . . . . 0.0 113.658 169.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -54.59 -63.21 5.42 Favored Glycine 0 N--CA 1.471 1.022 0 C-N-CA 126.928 2.204 . . . . 0.0 112.369 -176.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.59 95.33 4.53 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.019 0.91 . . . . 0.0 108.89 168.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.9 ptt-85 -118.56 156.6 28.87 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.406 1.482 . . . . 0.0 112.067 172.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -134.88 141.21 46.28 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 126.243 1.817 . . . . 0.0 109.355 -176.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -67.94 141.43 56.33 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.7 pt -124.87 170.52 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.539 1.536 . . . . 0.0 109.991 169.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 43.6 pttt -155.23 165.58 36.21 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.707 1.203 . . . . 0.0 112.932 173.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -102.97 149.09 24.88 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.715 2.006 . . . . 0.0 109.547 168.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -152.83 177.95 10.18 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.657 1.183 . . . . 0.0 112.237 176.157 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.3 mm -131.25 137.84 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 126.182 1.793 . . . . 0.0 109.382 -178.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.661 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.4 mp -87.05 143.65 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 123.722 0.809 . . . . 0.0 110.519 174.566 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -95.24 -29.32 14.57 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 23.5 mm . . . . . 0 N--CA 1.484 1.257 0 C-N-CA 128.871 2.868 . . . . 0.0 112.109 178.283 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 CA--C 1.539 0.534 0 N-CA-C 111.566 0.21 . . . . 0.0 111.566 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.5 mt -82.31 179.35 7.83 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 122.981 1.372 . . . . 0.0 113.359 -175.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.8 m -89.34 155.8 48.72 Favored Pre-proline 0 CA--C 1.541 0.603 0 C-N-CA 126.817 2.047 . . . . 0.0 112.229 176.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -63.62 -16.55 55.34 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 124.21 3.273 . . . . 0.0 113.483 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -87.67 -30.35 20.47 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.503 1.121 . . . . 0.0 112.362 176.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -68.5 -48.65 63.85 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.866 1.267 . . . . 0.0 111.609 -176.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mt -64.45 -45.56 86.93 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.833 1.653 . . . . 0.0 109.895 -177.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.89 -42.16 98.74 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.397 1.079 . . . . 0.0 111.849 173.608 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.579 0 CA-C-N 119.108 0.867 . . . . 0.0 112.492 177.855 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.537 0.456 0 CA-C-O 120.54 0.21 . . . . 0.0 111.55 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.0 p90 -171.18 152.03 3.32 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.634 1.574 . . . . 0.0 112.172 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.693 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -152.94 155.17 36.48 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.503 1.521 . . . . 0.0 110.872 176.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 27.5 m95 -117.97 145.97 44.33 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.806 1.243 . . . . 0.0 109.493 173.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -134.22 154.89 50.99 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.208 1.403 . . . . 0.0 111.398 -175.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -136.34 150.13 48.7 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.876 1.671 . . . . 0.0 110.968 177.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -74.6 117.45 16.45 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.574 0.624 . . . . 0.0 110.937 172.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.13 -159.56 33.35 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 125.501 1.524 . . . . 0.0 112.155 169.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -67.17 -28.85 68.45 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.207 1.003 . . . . 0.0 113.573 -178.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -134.45 -3.13 2.7 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 117.533 2.419 . . . . 0.0 117.533 -168.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.72 -171.15 43.93 Favored Glycine 0 N--CA 1.471 1.029 0 C-N-CA 125.43 1.49 . . . . 0.0 114.062 173.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -76.62 130.31 37.64 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.882 0.873 . . . . 0.0 110.923 169.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 69.7 m95 -130.12 145.23 51.68 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.99 1.316 . . . . 0.0 111.016 -177.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -84.23 139.94 32.02 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.281 0.632 . . . . 0.0 112.178 -169.375 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -68.8 156.48 38.29 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.97 0.908 . . . . 0.0 112.305 168.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -62.98 154.42 30.62 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.603 1.161 . . . . 0.0 112.447 175.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -66.86 -20.98 66.02 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.758 1.223 . . . . 0.0 113.183 -176.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 -94.27 -12.09 28.83 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.303 1.041 . . . . 0.0 112.223 176.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.0 m -97.0 -54.02 3.32 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.284 1.433 . . . . 0.0 111.255 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.4 p -59.03 -30.6 68.14 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -178.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -24.58 67.79 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.958 0.903 . . . . 0.0 113.077 174.519 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -80.11 -39.08 30.31 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.876 0.762 . . . . 0.0 110.253 177.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.0 mt -64.6 -43.69 93.01 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.05 1.34 . . . . 0.0 110.884 175.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -61.45 -28.23 69.13 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.061 1.344 . . . . 0.0 112.911 174.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -83.77 -30.39 26.67 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.032 -1.043 . . . . 0.0 112.313 -178.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.91 79.44 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.701 1.2 . . . . 0.0 113.973 -175.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -68.32 -24.6 64.85 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.82 0.736 . . . . 0.0 111.499 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.8 t -78.37 -29.29 47.34 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.957 1.303 . . . . 0.0 112.579 177.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -73.52 -42.44 61.75 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.716 1.206 . . . . 0.0 111.264 169.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.48 -7.73 7.91 Favored Glycine 0 C--N 1.341 0.843 0 C-N-CA 125.502 1.525 . . . . 0.0 114.192 176.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -63.85 155.9 29.11 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.242 1.521 . . . . 0.0 112.808 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -101.5 -2.07 31.57 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.169 1.388 . . . . 0.0 113.364 -176.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -169.22 141.17 2.5 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.886 2.074 . . . . 0.0 109.746 176.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.1 t -130.43 -178.23 4.68 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.914 1.285 . . . . 0.0 111.847 178.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -129.23 145.85 51.26 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 125.66 1.584 . . . . 0.0 111.594 -171.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.4 ptt? -151.51 148.33 27.91 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.093 1.357 . . . . 0.0 112.184 -174.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.55 142.41 34.34 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.806 1.642 . . . . 0.0 110.035 178.71 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.4 -152.96 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 125.034 1.333 . . . . 0.0 111.862 -179.595 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.46 -15.82 19.88 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 115.648 1.722 . . . . 0.0 115.648 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.7 15.28 0.03 OUTLIER Glycine 0 CA--C 1.534 1.249 0 N-CA-C 116.694 1.438 . . . . 0.0 116.694 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -150.03 153.28 36.23 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.781 1.291 . . . . 0.0 112.007 -169.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.58 124.5 37.62 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.521 1.128 . . . . 0.0 108.076 169.46 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -113.99 131.79 56.21 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.644 1.178 . . . . 0.0 111.341 170.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.0 t -85.74 116.17 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 125.832 1.653 . . . . 0.0 106.99 173.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.3 109.77 20.86 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.79 1.236 . . . . 0.0 109.038 174.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -86.86 114.58 23.63 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.308 1.443 . . . . 0.0 110.357 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.4 mp -83.44 -18.32 39.06 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.917 1.287 . . . . 0.0 112.095 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -65.96 -53.12 43.09 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.023 0.829 . . . . 0.0 112.021 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -101.79 -8.84 21.33 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.828 1.651 . . . . 0.0 111.991 -174.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 56.71 65.32 1.43 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.475 1.91 . . . . 0.0 110.725 -173.391 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.3 m -138.55 172.59 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 125.829 1.652 . . . . 0.0 110.494 175.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.1 141.26 29.92 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.798 0.839 . . . . 0.0 111.92 175.351 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -151.85 160.26 43.6 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.426 1.49 . . . . 0.0 113.868 -174.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -71.44 143.02 50.23 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.9 0.88 . . . . 0.0 111.236 173.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 72.9 mtp85 -52.12 -26.98 12.56 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -66.11 -30.88 71.46 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -177.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -166.27 124.12 1.43 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.141 0.976 . . . . 0.0 112.259 -172.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -68.78 -15.77 63.6 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -73.52 -22.33 78.62 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 125.504 1.526 . . . . 0.0 113.953 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -87.73 62.78 7.17 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.016 1.326 . . . . 0.0 110.324 174.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.3 ptt-85 -112.94 149.62 32.96 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.954 1.302 . . . . 0.0 114.456 -171.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -130.1 143.14 50.62 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.016 2.126 . . . . 0.0 109.869 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt -65.95 142.54 57.83 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.285 1.034 . . . . 0.0 113.203 179.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.3 pt -130.12 166.87 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.089 1.356 . . . . 0.0 111.479 170.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -156.45 165.34 36.59 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.485 1.514 . . . . 0.0 112.613 177.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.6 mtp-105 -102.5 152.62 20.93 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.458 1.503 . . . . 0.0 111.267 169.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.2 -179.24 7.35 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.431 1.492 . . . . 0.0 111.876 171.117 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.0 mm -128.23 140.5 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 126.417 1.887 . . . . 0.0 110.151 -177.018 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.693 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.1 mp -92.11 140.6 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 123.89 0.876 . . . . 0.0 110.393 171.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -106.8 -17.54 14.18 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.0 mm . . . . . 0 N--CA 1.485 1.324 0 C-N-CA 129.24 3.016 . . . . 0.0 111.886 176.345 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 CA--C 1.538 0.51 0 N-CA-C 111.376 0.139 . . . . 0.0 111.376 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.4 mt -83.51 -176.81 6.49 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 122.801 1.286 . . . . 0.0 113.118 -175.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.1 m -101.29 158.56 31.55 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 127.002 2.121 . . . . 0.0 112.094 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -61.48 -23.37 76.55 Favored 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 124.242 3.294 . . . . 0.0 113.26 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -87.73 -11.57 47.81 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.531 1.132 . . . . 0.0 113.902 176.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -86.57 -51.37 6.2 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.674 1.19 . . . . 0.0 111.114 175.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.25 -46.97 88.19 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.979 1.712 . . . . 0.0 110.666 -176.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -62.87 -38.92 92.78 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.101 173.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.628 0 CA-C-N 119.099 0.863 . . . . 0.0 113.063 179.209 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 CA--C 1.537 0.446 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -172.16 150.67 2.49 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.719 1.607 . . . . 0.0 112.835 178.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.714 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -154.35 150.8 28.33 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.261 1.424 . . . . 0.0 112.423 177.177 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 67.4 m95 -96.54 145.09 26.02 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.044 1.338 . . . . 0.0 111.252 172.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -138.25 157.19 46.76 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.215 1.406 . . . . 0.0 112.394 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -138.9 148.87 44.17 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.758 1.623 . . . . 0.0 111.561 174.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -77.68 115.82 17.74 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 118.26 0.482 . . . . 0.0 109.97 171.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -115.32 -139.29 6.79 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 125.348 1.451 . . . . 0.0 112.783 177.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 47.1 ptt85 -54.7 -32.55 59.7 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 116.624 2.083 . . . . 0.0 116.624 -170.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -143.11 -9.12 0.78 Allowed 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -173.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 164.24 -159.6 32.48 Favored Glycine 0 N--CA 1.469 0.876 0 C-N-CA 125.361 1.458 . . . . 0.0 112.388 -176.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -67.97 130.61 43.49 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.941 0.896 . . . . 0.0 112.47 176.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.9 m95 -130.2 141.04 50.68 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.94 1.696 . . . . 0.0 110.199 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -79.14 141.06 37.59 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.401 0.68 . . . . 0.0 110.982 -174.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -68.17 158.39 33.29 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 172.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -72.72 154.22 40.79 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.679 1.192 . . . . 0.0 112.038 172.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -68.44 -20.66 64.65 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.684 1.194 . . . . 0.0 113.311 -176.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -93.67 -10.83 33.14 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.181 0.993 . . . . 0.0 112.286 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.9 m -100.28 -53.39 3.13 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.276 1.43 . . . . 0.0 111.387 177.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 65.0 p -58.92 -28.55 66.32 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -24.77 67.72 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.98 0.912 . . . . 0.0 113.247 173.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -76.42 -36.74 57.84 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.942 0.792 . . . . 0.0 110.463 176.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.1 mt -72.13 -41.14 67.53 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.639 1.576 . . . . 0.0 110.799 178.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -56.66 -36.51 69.62 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.041 1.736 . . . . 0.0 112.48 169.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -80.13 -38.38 31.65 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.04 -1.037 . . . . 0.0 111.466 -175.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.41 -50.11 71.1 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.26 1.424 . . . . 0.0 113.971 -175.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -67.33 -24.0 65.68 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.266 0.484 . . . . 0.0 111.589 177.299 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -78.5 -30.64 47.32 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.708 1.203 . . . . 0.0 112.654 176.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -73.5 -42.9 61.22 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.659 1.184 . . . . 0.0 111.972 174.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.94 -7.24 8.8 Favored Glycine 0 N--CA 1.468 0.803 0 C-N-CA 124.895 1.236 . . . . 0.0 114.252 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -64.65 153.31 39.86 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.059 1.429 . . . . 0.0 112.317 172.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -97.85 -3.45 38.69 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.789 1.236 . . . . 0.0 113.356 -176.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -170.12 153.61 4.67 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 126.332 1.853 . . . . 0.0 110.176 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 t -147.39 176.38 10.06 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.372 1.469 . . . . 0.0 111.411 -175.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -125.42 144.93 50.29 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 125.202 1.401 . . . . 0.0 111.695 -169.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 10.3 ptt? -151.67 147.26 26.52 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.046 1.338 . . . . 0.0 112.255 -174.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.84 142.93 33.53 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.819 1.648 . . . . 0.0 110.299 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.58 -152.24 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.97 1.308 . . . . 0.0 112.162 -179.381 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.63 -16.83 17.78 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.59 14.78 0.03 OUTLIER Glycine 0 CA--C 1.534 1.22 0 N-CA-C 116.597 1.399 . . . . 0.0 116.597 178.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -148.61 153.56 38.49 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.909 1.354 . . . . 0.0 112.198 -169.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.21 125.02 37.59 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.524 1.129 . . . . 0.0 108.234 169.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -113.9 132.76 55.8 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.839 1.256 . . . . 0.0 111.429 171.15 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.8 t -89.47 120.79 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 C-N-CA 125.888 1.675 . . . . 0.0 107.206 171.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.02 121.21 41.38 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.332 1.453 . . . . 0.0 109.893 177.132 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -104.64 119.85 39.95 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.844 1.658 . . . . 0.0 111.069 -174.046 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.2 mt -78.98 -16.22 57.22 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.618 1.567 . . . . 0.0 113.821 -176.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -85.96 -47.53 9.53 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.946 0.898 . . . . 0.0 112.103 -173.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -94.84 -11.84 28.08 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.555 1.542 . . . . 0.0 111.878 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mmt 54.96 64.54 1.77 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.55 1.94 . . . . 0.0 111.198 -172.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.6 m -140.04 168.36 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.83 1.252 . . . . 0.0 111.304 176.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -126.98 152.77 46.76 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.599 1.56 . . . . 0.0 110.531 170.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -160.85 161.98 32.05 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.304 1.441 . . . . 0.0 113.642 176.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -70.95 149.37 46.76 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.348 0.659 . . . . 0.0 111.225 169.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 70.7 mtp85 -57.52 -25.23 59.56 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -178.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -67.51 -32.02 72.55 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 -174.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -165.03 126.01 2.01 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.554 1.142 . . . . 0.0 111.563 -175.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -66.94 -15.94 64.02 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.67 -19.9 79.72 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.361 1.457 . . . . 0.0 114.092 177.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.6 tpt85 -86.25 62.07 7.21 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.11 1.364 . . . . 0.0 109.692 175.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -115.41 156.31 25.81 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 -169.044 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 80.9 mtt85 -134.38 146.31 49.77 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 127.043 2.137 . . . . 0.0 110.163 172.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -67.56 142.89 56.36 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.684 1.194 . . . . 0.0 114.003 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.1 pt -123.68 166.99 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.301 1.44 . . . . 0.0 109.843 168.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -154.26 170.54 21.01 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.225 1.41 . . . . 0.0 111.871 175.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -120.04 139.27 52.77 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.277 1.431 . . . . 0.0 109.225 169.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -141.57 -177.98 5.42 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.898 1.679 . . . . 0.0 111.581 -173.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.2 mm -130.84 136.83 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 125.57 1.548 . . . . 0.0 110.101 -172.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.714 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.3 mp -86.95 143.48 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.121 0.968 . . . . 0.0 110.844 174.021 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -96.14 -26.47 15.46 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.5 mm . . . . . 0 N--CA 1.486 1.338 0 C-N-CA 129.154 2.981 . . . . 0.0 111.835 179.075 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.9 mt -89.95 -179.75 5.78 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.934 1.294 . . . . 0.0 112.451 -177.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.0 m -92.01 157.07 41.71 Favored Pre-proline 0 CA--C 1.539 0.544 0 C-N-CA 126.197 1.799 . . . . 0.0 111.722 174.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -61.35 -21.96 73.25 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 123.881 3.054 . . . . 0.0 113.07 177.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -78.41 -32.6 48.77 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.251 1.021 . . . . 0.0 112.398 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -70.76 -48.45 54.32 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.967 1.307 . . . . 0.0 111.983 -174.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mt -63.8 -41.56 97.89 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.813 1.645 . . . . 0.0 110.202 -177.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -64.54 -46.41 82.98 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.584 0.754 . . . . 0.0 111.983 169.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.609 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -177.525 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.466 0.366 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -172.24 153.61 3.08 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.077 1.751 . . . . 0.0 112.105 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.709 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -153.13 152.46 31.3 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.952 1.701 . . . . 0.0 110.223 175.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -118.6 146.44 44.62 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 124.626 1.17 . . . . 0.0 109.692 173.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -136.78 157.47 46.69 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.765 1.226 . . . . 0.0 111.456 -177.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -136.02 149.51 48.84 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.503 1.521 . . . . 0.0 111.385 175.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -75.48 91.73 2.81 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.327 0.512 . . . . 0.0 111.481 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.38 -177.88 52.11 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 124.363 0.983 . . . . 0.0 112.703 173.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -60.0 -33.91 72.63 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -171.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -108.45 -7.08 15.88 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 -177.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 151.54 -171.05 31.09 Favored Glycine 0 N--CA 1.473 1.126 0 C-N-CA 125.92 1.724 . . . . 0.0 112.805 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -63.58 127.11 29.86 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.259 0.624 . . . . 0.0 111.643 172.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -125.23 142.72 51.32 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.407 1.083 . . . . 0.0 111.31 175.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -82.1 138.28 34.82 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.729 0.812 . . . . 0.0 111.328 -172.329 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -69.16 150.67 47.26 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.757 0.823 . . . . 0.0 111.861 169.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -58.73 154.0 15.59 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.283 1.433 . . . . 0.0 112.791 176.058 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -68.11 -19.79 64.87 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.478 1.111 . . . . 0.0 113.285 -174.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.3 mmt85 -95.35 -12.0 26.81 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.41 1.084 . . . . 0.0 112.042 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.5 m -97.4 -53.59 3.41 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.5 1.52 . . . . 0.0 111.241 176.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.5 p -58.06 -30.66 66.38 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.129 0.972 . . . . 0.0 113.225 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -27.97 69.77 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 174.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -73.07 -39.33 65.96 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.921 0.782 . . . . 0.0 109.904 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.8 mt -66.88 -44.38 81.03 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.718 1.607 . . . . 0.0 110.608 177.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -62.49 -31.05 71.74 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.313 1.445 . . . . 0.0 112.923 175.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -80.78 -36.81 31.33 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.246 -0.909 . . . . 0.0 110.778 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.44 -49.11 76.76 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.787 1.235 . . . . 0.0 114.114 -174.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -69.45 -19.02 63.78 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.79 0.723 . . . . 0.0 111.96 176.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.2 t -83.17 -31.0 27.36 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.916 1.286 . . . . 0.0 112.604 175.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -73.49 -42.34 61.96 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.113 1.365 . . . . 0.0 111.682 175.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.7 -7.38 8.34 Favored Glycine 0 C--N 1.34 0.779 0 C-N-CA 124.924 1.25 . . . . 0.0 114.174 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -65.34 151.66 45.71 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 119.158 1.479 . . . . 0.0 112.48 173.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -98.85 -0.41 42.49 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.161 1.384 . . . . 0.0 113.091 -175.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -171.64 147.92 2.37 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 126.885 2.074 . . . . 0.0 109.553 176.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.4 t -136.55 179.58 6.28 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.375 1.07 . . . . 0.0 111.748 178.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -128.92 146.57 50.92 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 125.631 1.573 . . . . 0.0 111.592 -171.189 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.2 ptt? -152.21 146.7 25.64 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.954 1.302 . . . . 0.0 112.101 -174.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.93 142.56 33.03 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.807 1.643 . . . . 0.0 109.93 177.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.32 -152.79 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.872 1.269 . . . . 0.0 111.734 -179.012 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.24 -15.9 18.06 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 115.556 1.687 . . . . 0.0 115.556 178.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.92 15.58 0.03 OUTLIER Glycine 0 CA--C 1.533 1.179 0 N-CA-C 116.803 1.481 . . . . 0.0 116.803 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -149.97 154.28 37.98 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.839 1.319 . . . . 0.0 111.993 -169.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.63 124.38 38.63 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.416 1.086 . . . . 0.0 108.079 169.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -112.68 130.9 55.89 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.46 1.104 . . . . 0.0 111.461 170.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.5 t -83.68 120.49 34.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 106.797 -1.556 . . . . 0.0 106.797 169.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.47 108.39 19.87 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 124.166 0.986 . . . . 0.0 108.458 170.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -82.21 111.81 18.65 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.374 1.47 . . . . 0.0 109.163 176.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.8 mp -86.92 -8.47 57.22 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.905 1.282 . . . . 0.0 112.46 -177.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -79.03 -52.61 7.98 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.417 1.008 . . . . 0.0 111.015 173.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -94.43 -10.07 33.58 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.339 1.856 . . . . 0.0 112.128 -173.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.3 mmt 55.96 64.81 1.61 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.659 1.984 . . . . 0.0 111.329 -173.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.9 m -142.76 154.29 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 O-C-N 121.238 -0.914 . . . . 0.0 112.347 178.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -101.3 145.97 28.17 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.814 0.846 . . . . 0.0 109.707 168.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -161.53 160.25 28.81 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.706 1.202 . . . . 0.0 113.783 171.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -79.27 137.1 37.24 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.975 1.31 . . . . 0.0 111.175 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -47.45 -45.85 26.25 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.356 1.462 . . . . 0.0 114.516 -175.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -92.43 0.44 57.44 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.961 1.304 . . . . 0.0 113.759 -175.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -148.01 50.23 1.04 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.604 1.562 . . . . 0.0 109.639 -169.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 39.0 p-80 -64.86 -18.17 64.92 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -169.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.83 -37.21 92.12 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.941 1.258 . . . . 0.0 112.617 175.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.8 mmm-85 -71.35 102.36 2.59 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.053 0.941 . . . . 0.0 109.569 169.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 31.6 ptt-85 -146.51 162.9 37.33 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.552 1.141 . . . . 0.0 113.435 -174.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.4 ptt-85 -158.25 149.94 21.43 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.814 1.646 . . . . 0.0 111.339 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -64.47 144.64 57.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.583 1.553 . . . . 0.0 114.003 -172.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.9 pt -122.15 170.48 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.913 1.685 . . . . 0.0 110.681 170.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.7 pttt -155.73 165.75 35.58 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.719 1.208 . . . . 0.0 113.07 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.7 mtp-105 -103.92 152.23 22.21 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.548 1.539 . . . . 0.0 110.647 167.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -150.28 168.57 23.67 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.368 1.867 . . . . 0.0 110.939 172.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.3 mm -123.97 134.63 65.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.508 1.523 . . . . 0.0 109.074 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.709 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.4 mp -85.62 141.11 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 123.745 0.818 . . . . 0.0 110.611 175.236 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -99.18 -22.06 15.83 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 23.2 mm . . . . . 0 N--CA 1.486 1.326 0 C-N-CA 128.874 2.87 . . . . 0.0 112.005 176.391 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.543 0.68 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.3 mt -93.06 -177.8 4.6 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.951 1.301 . . . . 0.0 112.783 -176.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 m -93.9 156.28 39.46 Favored Pre-proline 0 CA--C 1.539 0.55 0 C-N-CA 126.838 2.055 . . . . 0.0 112.347 177.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -60.54 -22.36 71.9 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 123.856 3.037 . . . . 0.0 113.014 176.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -87.27 -11.94 48.12 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.523 1.129 . . . . 0.0 113.253 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -88.55 -51.0 5.93 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.962 1.305 . . . . 0.0 110.736 175.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mt -61.03 -48.65 80.79 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 125.488 1.515 . . . . 0.0 110.523 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -64.67 -28.3 69.51 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 176.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.613 0 C-N-CA 123.748 0.819 . . . . 0.0 112.096 175.039 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.469 0.5 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.2 p90 -171.46 152.01 3.16 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.269 1.828 . . . . 0.0 112.662 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.655 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -155.62 157.38 36.63 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.465 1.506 . . . . 0.0 111.321 176.45 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -111.51 149.8 30.85 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.476 1.11 . . . . 0.0 110.074 169.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -135.85 157.06 47.79 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.003 1.321 . . . . 0.0 111.527 178.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -136.76 148.33 47.18 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.061 1.344 . . . . 0.0 112.062 176.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.38 100.96 10.3 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.856 1.262 . . . . 0.0 109.015 -177.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.99 -143.16 8.5 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 124.684 1.135 . . . . 0.0 112.388 -176.132 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -89.72 -23.87 21.7 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.267 1.027 . . . . 0.0 113.63 -178.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -124.86 -6.2 7.38 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.992 1.478 . . . . 0.0 114.992 -175.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 155.26 -168.61 33.12 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 125.65 1.595 . . . . 0.0 113.13 178.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -68.58 128.21 35.8 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.586 0.754 . . . . 0.0 111.372 171.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 43.8 m95 -126.38 141.47 51.89 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.121 1.368 . . . . 0.0 110.979 177.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -79.41 139.15 37.78 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.287 0.635 . . . . 0.0 111.122 -173.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -68.79 158.49 34.26 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.931 0.892 . . . . 0.0 113.239 170.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -69.26 154.87 41.35 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.332 1.053 . . . . 0.0 112.15 171.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -68.12 -21.29 64.94 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.632 1.173 . . . . 0.0 113.362 -176.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.7 mmt85 -93.41 -13.98 27.34 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.003 0.921 . . . . 0.0 112.149 177.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.1 m -95.9 -52.62 3.99 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.235 1.414 . . . . 0.0 111.281 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.1 p -59.34 -29.31 67.57 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.321 0.859 . . . . 0.0 113.321 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -28.42 69.97 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 119.006 -0.521 . . . . 0.0 112.289 174.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -72.24 -38.33 68.93 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.08 0.854 . . . . 0.0 109.989 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.4 mt -68.71 -44.69 73.39 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.744 1.618 . . . . 0.0 110.699 177.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -62.43 -32.84 73.76 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.54 1.536 . . . . 0.0 112.871 176.182 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -81.2 -35.07 31.82 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.265 1.026 . . . . 0.0 111.158 -178.055 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.68 -49.5 74.87 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.754 1.222 . . . . 0.0 114.146 -175.044 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -68.57 -21.59 64.52 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 118.928 0.786 . . . . 0.0 111.826 176.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.1 t -80.69 -30.68 36.41 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.892 1.277 . . . . 0.0 112.547 176.441 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -73.62 -42.73 61.1 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.126 1.37 . . . . 0.0 111.703 173.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.51 -7.44 7.93 Favored Glycine 0 N--CA 1.468 0.833 0 C-N-CA 124.964 1.268 . . . . 0.0 114.171 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -65.89 151.83 45.84 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.255 1.527 . . . . 0.0 112.414 173.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -99.64 0.69 42.55 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.196 1.398 . . . . 0.0 113.31 -175.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -171.72 147.23 2.24 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.884 2.074 . . . . 0.0 109.496 176.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.2 t -136.25 176.95 8.23 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.177 0.991 . . . . 0.0 112.001 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -125.1 147.71 48.87 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 125.705 1.602 . . . . 0.0 111.627 -171.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.1 ptt? -155.07 146.13 22.68 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.777 1.231 . . . . 0.0 112.226 -174.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.54 143.02 32.03 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.842 1.657 . . . . 0.0 110.131 177.412 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.31 -151.94 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.069 1.348 . . . . 0.0 111.794 -178.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.27 -17.48 29.04 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 178.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.83 16.91 0.03 OUTLIER Glycine 0 CA--C 1.534 1.22 0 N-CA-C 116.53 1.372 . . . . 0.0 116.53 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -148.71 152.29 36.38 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.735 1.267 . . . . 0.0 111.899 -171.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.45 122.09 35.53 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 168.122 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -109.37 130.18 55.51 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 124.691 1.196 . . . . 0.0 110.954 171.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.3 t -86.41 116.04 28.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 170.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.62 110.82 20.66 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.292 1.037 . . . . 0.0 108.81 172.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -84.16 110.81 18.8 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.785 1.634 . . . . 0.0 109.379 178.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.8 mp -86.07 -9.0 57.5 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.695 1.198 . . . . 0.0 112.624 -177.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -77.87 -50.3 12.53 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.085 0.857 . . . . 0.0 111.502 174.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -99.19 -10.18 22.78 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.201 1.801 . . . . 0.0 112.048 -172.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.4 mmt 54.19 65.49 1.49 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.406 1.882 . . . . 0.0 111.122 -172.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.7 m -139.22 168.84 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 125.506 1.522 . . . . 0.0 110.818 174.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -122.62 147.2 46.71 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.723 1.609 . . . . 0.0 110.113 169.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -155.52 150.85 26.98 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.968 1.307 . . . . 0.0 112.53 174.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -78.92 141.99 37.12 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.834 1.654 . . . . 0.0 111.428 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -58.63 -18.89 34.26 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -175.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -75.34 -21.09 58.65 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -156.64 127.41 6.75 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 122.371 1.081 . . . . 0.0 112.72 177.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -86.28 -26.19 25.1 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.459 1.103 . . . . 0.0 113.653 -173.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -76.57 -47.28 10.39 Favored Glycine 0 N--CA 1.471 0.989 0 C-N-CA 124.168 0.89 . . . . 0.0 112.315 -174.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -66.15 114.36 5.21 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.315 1.046 . . . . 0.0 109.355 172.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.7 ptt-85 -150.82 156.99 42.37 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.079 1.352 . . . . 0.0 112.184 -171.124 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -129.89 144.69 51.45 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.567 1.547 . . . . 0.0 110.065 177.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.3 mmmt -65.51 147.33 53.59 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.46 1.104 . . . . 0.0 113.773 -177.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.8 pt -130.55 167.16 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 124.879 1.272 . . . . 0.0 110.269 168.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 43.6 pttt -155.33 165.55 36.29 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.835 1.254 . . . . 0.0 112.979 176.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -105.26 146.41 29.36 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.261 1.825 . . . . 0.0 109.597 168.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.22 179.6 8.38 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.411 1.484 . . . . 0.0 111.972 -178.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.9 mm -131.22 139.88 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 126.07 1.748 . . . . 0.0 110.204 -175.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.655 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.3 mp -90.24 141.19 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 123.951 0.901 . . . . 0.0 110.261 171.149 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -100.94 -18.47 16.31 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 26.2 mm . . . . . 0 N--CA 1.486 1.33 0 C-N-CA 128.766 2.826 . . . . 0.0 112.16 174.356 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 CA--C 1.542 0.648 0 N-CA-C 111.695 0.258 . . . . 0.0 111.695 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.3 mt -87.21 -178.55 6.25 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.933 1.293 . . . . 0.0 112.456 -177.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.7 m -94.18 157.78 37.08 Favored Pre-proline 0 CA--C 1.538 0.484 0 C-N-CA 126.349 1.86 . . . . 0.0 111.618 175.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -60.11 -25.3 79.49 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.737 2.958 . . . . 0.0 112.776 177.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -76.37 -33.48 58.91 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.346 1.058 . . . . 0.0 112.383 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -69.53 -48.93 58.85 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.801 1.24 . . . . 0.0 111.493 -177.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.3 mt -64.49 -47.19 79.88 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.687 1.595 . . . . 0.0 110.291 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -60.33 -38.72 84.62 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 171.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.691 0 CA-C-N 119.667 1.121 . . . . 0.0 112.615 176.354 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 . . . . . 0 N--CA 1.469 0.514 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -170.85 152.43 3.64 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.504 1.521 . . . . 0.0 112.583 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.671 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -153.13 158.62 42.1 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.95 1.7 . . . . 0.0 110.448 176.321 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -118.52 149.44 41.3 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.429 1.092 . . . . 0.0 109.993 170.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -137.46 155.89 48.8 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.968 1.307 . . . . 0.0 111.357 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -135.57 149.11 49.31 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.304 1.442 . . . . 0.0 111.282 174.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -80.94 104.07 11.2 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 118.26 0.482 . . . . 0.0 110.735 175.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.96 -156.22 27.19 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.356 0.979 . . . . 0.0 111.696 169.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 82.7 mmt-85 -61.28 -43.53 98.73 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.951 0.9 . . . . 0.0 113.422 -177.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -107.08 -9.92 16.05 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 -170.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 153.41 -161.61 29.84 Favored Glycine 0 N--CA 1.472 1.067 0 C-N-CA 125.275 1.417 . . . . 0.0 113.165 178.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -66.67 129.36 39.6 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.084 0.954 . . . . 0.0 112.378 174.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 61.3 m95 -129.47 139.26 51.64 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.408 1.483 . . . . 0.0 110.61 175.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -82.12 140.37 33.84 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.621 0.768 . . . . 0.0 111.557 -170.742 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -71.5 156.28 39.62 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.949 0.899 . . . . 0.0 112.854 169.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -66.04 156.32 34.13 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.811 1.244 . . . . 0.0 112.248 172.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -66.88 -22.1 65.98 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.634 1.174 . . . . 0.0 113.192 -176.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -92.74 -13.85 28.75 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.898 0.879 . . . . 0.0 112.23 177.222 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.4 m -95.86 -52.53 4.03 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.086 1.354 . . . . 0.0 111.314 176.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.3 p -59.88 -29.37 68.27 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -28.36 69.98 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-O 118.911 -0.566 . . . . 0.0 112.422 174.142 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -72.46 -39.03 68.08 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.107 0.867 . . . . 0.0 110.001 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.1 mt -67.69 -44.83 76.82 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.655 1.582 . . . . 0.0 110.669 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -63.84 -30.68 71.75 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.279 1.432 . . . . 0.0 112.83 176.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -81.69 -37.55 27.2 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.053 0.941 . . . . 0.0 110.954 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.96 -49.18 78.67 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.814 1.246 . . . . 0.0 114.157 -176.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -69.46 -18.66 63.73 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.722 0.692 . . . . 0.0 112.095 176.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.8 t -84.53 -30.07 25.42 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.012 1.325 . . . . 0.0 112.56 175.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -74.73 -42.61 57.97 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.135 1.374 . . . . 0.0 111.736 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.12 -7.49 8.1 Favored Glycine 0 C--N 1.34 0.802 0 C-N-CA 124.87 1.224 . . . . 0.0 114.199 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -65.8 151.16 47.27 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.116 1.458 . . . . 0.0 112.266 172.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.9 pttt -98.57 -0.73 42.6 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.891 1.276 . . . . 0.0 113.334 -175.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -170.42 146.57 2.85 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.88 2.072 . . . . 0.0 109.421 178.244 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 t -134.74 176.69 8.41 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.293 1.037 . . . . 0.0 111.904 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -126.57 145.36 50.57 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.569 1.547 . . . . 0.0 111.488 -172.269 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.6 ptt? -151.16 146.35 26.06 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.873 1.269 . . . . 0.0 112.077 -173.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.39 142.82 32.22 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.819 1.648 . . . . 0.0 109.906 177.66 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.82 -152.84 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.968 1.307 . . . . 0.0 111.635 -179.198 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.29 -16.07 19.56 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 178.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.72 16.13 0.03 OUTLIER Glycine 0 CA--C 1.534 1.264 0 N-CA-C 116.637 1.415 . . . . 0.0 116.637 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -150.28 152.66 34.86 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.841 1.321 . . . . 0.0 112.129 -169.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.14 124.78 37.36 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 169.043 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -113.4 130.21 56.35 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.574 1.15 . . . . 0.0 111.296 170.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.8 t -85.86 113.79 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 125.772 1.629 . . . . 0.0 107.093 171.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.45 108.51 19.42 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.378 1.071 . . . . 0.0 108.994 173.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -84.0 114.94 22.07 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.12 1.368 . . . . 0.0 110.495 176.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.0 mp -86.15 -13.37 47.29 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.953 1.301 . . . . 0.0 112.19 -178.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -65.99 -54.66 23.34 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.386 0.994 . . . . 0.0 111.78 174.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -101.86 -5.99 24.1 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.633 1.573 . . . . 0.0 112.424 -173.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.7 mmt 58.07 65.08 1.36 Allowed 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.79 2.036 . . . . 0.0 111.085 -173.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.5 m -140.34 170.25 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 124.235 1.014 . . . . 0.0 111.341 177.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -142.98 136.28 28.32 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.169 0.988 . . . . 0.0 111.774 177.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -151.47 163.64 38.54 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.965 1.706 . . . . 0.0 113.956 -172.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -73.37 148.01 43.79 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 121.331 -0.856 . . . . 0.0 111.64 172.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -54.91 -24.86 25.5 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -178.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -68.99 -30.84 69.33 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -177.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -165.2 129.13 2.35 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.68 0.792 . . . . 0.0 112.91 -171.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -65.36 -15.8 62.94 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 175.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.42 -17.03 79.74 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 125.689 1.614 . . . . 0.0 114.053 177.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.4 tpt85 -83.45 39.26 0.66 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.006 1.723 . . . . 0.0 111.441 175.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.8 ptt-85 -99.17 148.75 23.77 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 115.763 1.764 . . . . 0.0 115.763 -169.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -131.05 145.79 52.15 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 127.764 2.426 . . . . 0.0 109.549 172.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -65.86 143.06 57.69 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.333 1.053 . . . . 0.0 113.341 178.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.2 pt -125.79 168.78 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.973 1.309 . . . . 0.0 111.001 169.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -155.84 165.62 35.94 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.321 1.449 . . . . 0.0 112.901 174.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.9 mtp-105 -99.92 151.62 21.11 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.22 1.408 . . . . 0.0 109.243 166.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.03 178.63 9.49 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.16 1.384 . . . . 0.0 111.587 174.275 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.5 mm -130.61 140.34 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 125.546 1.539 . . . . 0.0 110.353 -175.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.671 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.1 mp -92.05 140.54 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.277 1.031 . . . . 0.0 110.673 171.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -104.38 -18.41 14.43 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.6 mm . . . . . 0 N--CA 1.486 1.336 0 C-N-CA 129.09 2.956 . . . . 0.0 111.628 178.004 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 CA--C 1.542 0.666 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.5 mt -77.52 -179.97 6.15 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 122.774 1.273 . . . . 0.0 112.46 175.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.7 m -86.53 155.21 56.73 Favored Pre-proline 0 CA--C 1.537 0.468 0 C-N-CA 126.149 1.78 . . . . 0.0 111.927 175.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -61.73 -22.1 73.63 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.612 2.875 . . . . 0.0 112.787 177.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -81.09 -31.27 34.41 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.212 1.005 . . . . 0.0 112.467 178.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -68.28 -49.22 61.97 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.032 1.333 . . . . 0.0 111.251 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 mt -67.05 -46.34 74.65 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 125.987 1.715 . . . . 0.0 110.477 -177.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -59.58 -40.18 86.52 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 118.461 -0.78 . . . . 0.0 112.551 170.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.632 0 CA-C-N 119.963 1.256 . . . . 0.0 112.559 176.706 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.537 0.479 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -170.99 151.4 3.28 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.917 1.687 . . . . 0.0 113.186 -179.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.656 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -155.17 158.84 39.56 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.045 1.738 . . . . 0.0 111.395 176.113 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 55.6 m95 -111.59 146.96 36.45 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.047 1.339 . . . . 0.0 111.127 172.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -137.8 155.16 49.31 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.39 1.476 . . . . 0.0 112.069 -178.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -129.44 152.77 48.62 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.838 1.655 . . . . 0.0 111.47 174.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -73.16 103.47 3.91 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 122.033 -0.417 . . . . 0.0 110.234 172.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -89.48 178.57 44.42 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 124.642 1.115 . . . . 0.0 112.236 170.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.3 ttm-85 -67.7 -29.08 68.24 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -172.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -106.27 -6.36 18.48 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.281 1.432 . . . . 0.0 114.475 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.0 -173.51 29.69 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 126.275 1.893 . . . . 0.0 112.665 179.273 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -63.02 129.65 41.29 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 122.145 -0.621 . . . . 0.0 111.868 171.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -127.87 144.42 51.09 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.398 1.079 . . . . 0.0 111.648 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -80.24 141.75 35.28 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.755 0.822 . . . . 0.0 111.22 -173.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -68.83 158.82 33.67 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 172.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -64.96 149.11 50.32 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.65 1.18 . . . . 0.0 111.767 170.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -69.01 -17.95 63.98 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.787 1.235 . . . . 0.0 113.424 -173.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 -95.14 -11.79 27.55 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.306 1.042 . . . . 0.0 111.777 175.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.5 m -95.04 -53.97 3.62 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.768 1.227 . . . . 0.0 110.794 173.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.5 p -59.25 -29.94 67.91 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -177.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -30.0 71.14 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 122.864 0.466 . . . . 0.0 112.255 175.23 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -70.44 -36.56 74.02 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.049 0.84 . . . . 0.0 110.116 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.7 mt -75.25 -40.32 59.06 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.171 1.788 . . . . 0.0 111.076 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -64.17 -44.18 92.85 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.008 0.923 . . . . 0.0 112.488 171.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -67.47 -36.56 81.38 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.563 0.697 . . . . 0.0 110.151 -175.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.87 -49.44 77.45 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.286 1.435 . . . . 0.0 113.842 175.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -66.17 -24.31 66.62 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.896 1.225 . . . . 0.0 111.82 174.247 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.8 t -80.82 -24.45 38.47 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.755 1.222 . . . . 0.0 113.585 177.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -81.69 -42.51 19.8 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.21 1.404 . . . . 0.0 112.088 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.48 -7.61 9.02 Favored Glycine 0 C--N 1.34 0.791 0 C-N-CA 124.776 1.179 . . . . 0.0 114.229 -176.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -65.61 155.4 35.94 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.169 1.484 . . . . 0.0 111.957 169.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.5 pttp -104.03 0.33 29.71 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.801 1.24 . . . . 0.0 113.284 -177.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -169.93 152.96 4.56 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 126.134 1.773 . . . . 0.0 110.664 177.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.9 t -148.56 176.05 10.65 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.505 1.522 . . . . 0.0 111.39 -175.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -121.35 145.76 47.56 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.318 1.447 . . . . 0.0 111.9 -172.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -153.59 155.31 35.87 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.176 1.39 . . . . 0.0 112.263 -177.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.55 143.28 33.93 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.997 1.719 . . . . 0.0 110.306 178.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.48 -153.07 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.011 1.324 . . . . 0.0 112.044 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.17 -17.26 17.48 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 115.61 1.708 . . . . 0.0 115.61 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.54 17.31 0.03 OUTLIER Glycine 0 CA--C 1.535 1.292 0 N-CA-C 116.351 1.3 . . . . 0.0 116.351 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -151.32 150.96 31.12 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.695 1.248 . . . . 0.0 112.559 -169.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.03 125.5 35.84 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.708 1.203 . . . . 0.0 107.947 169.083 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -119.58 137.4 53.87 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.779 1.232 . . . . 0.0 111.98 173.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 43.1 t -89.06 111.2 22.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 C-N-CA 125.72 1.608 . . . . 0.0 108.047 173.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.71 104.48 10.33 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.72 1.208 . . . . 0.0 110.336 173.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -81.46 110.61 17.02 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.666 1.586 . . . . 0.0 109.341 176.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 76.1 mt -81.16 -9.12 59.85 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.932 0.893 . . . . 0.0 112.49 -178.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -86.95 -51.03 6.27 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.475 1.11 . . . . 0.0 111.282 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -97.1 -9.6 27.68 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.773 2.029 . . . . 0.0 111.764 -174.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.9 mmt 59.98 59.14 2.51 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.93 2.092 . . . . 0.0 112.167 -178.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 16.7 m -145.19 158.48 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -175.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -116.61 134.71 54.5 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 127.056 2.142 . . . . 0.0 110.7 177.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -154.44 156.92 37.64 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.686 1.594 . . . . 0.0 111.952 176.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 79.1 mtt85 -72.1 152.66 42.2 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 121.119 -0.988 . . . . 0.0 110.76 173.104 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.8 mtp-105 -57.18 -21.65 34.71 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 -172.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -98.09 -4.11 36.51 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.595 1.558 . . . . 0.0 114.799 -177.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -137.36 163.56 30.71 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.712 1.142 . . . . 0.0 113.511 -172.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 27.1 p80 -138.76 -23.62 0.94 Allowed 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 173.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -75.6 -15.87 80.99 Favored Glycine 0 N--CA 1.477 1.385 0 C-N-CA 124.385 0.993 . . . . 0.0 114.706 -175.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -94.92 6.71 48.26 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.698 1.599 . . . . 0.0 112.716 177.179 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -56.51 138.81 51.13 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.634 1.174 . . . . 0.0 113.652 -172.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -126.25 137.16 53.49 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.668 1.587 . . . . 0.0 111.54 -171.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt -71.05 143.41 50.73 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 115.386 1.625 . . . . 0.0 115.386 -169.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 31.3 pt -132.93 173.04 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 127.087 2.155 . . . . 0.0 110.584 171.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.0 pttt -155.39 165.4 36.73 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.422 1.489 . . . . 0.0 112.265 174.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 46.1 mtm105 -102.14 146.06 28.48 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.258 1.423 . . . . 0.0 108.729 167.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.14 179.66 7.46 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.274 1.429 . . . . 0.0 111.608 178.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.8 mm -133.73 137.16 53.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 125.349 1.46 . . . . 0.0 110.358 -170.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.656 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.3 mp -89.42 143.26 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.241 1.016 . . . . 0.0 110.85 173.726 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -96.72 -28.51 14.26 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.9 mm . . . . . 0 N--CA 1.486 1.354 0 C-N-CA 129.07 2.948 . . . . 0.0 112.212 178.395 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo . . . . . 0 CA--C 1.538 0.698 0 N-CA-C 113.393 0.497 . . . . 0.0 113.393 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.0 p -166.67 165.23 16.66 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.566 1.546 . . . . 0.0 111.466 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.8 t -160.88 151.73 18.52 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.551 1.14 . . . . 0.0 111.725 -178.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.12 -17.71 68.26 Favored Glycine 0 CA--C 1.534 1.27 0 O-C-N 121.634 -0.666 . . . . 0.0 112.884 169.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.9 m -79.98 -6.3 57.29 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.474 1.11 . . . . 0.0 113.319 173.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.4 m -79.42 -3.79 48.11 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.802 -1.186 . . . . 0.0 113.734 177.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.83 173.21 21.65 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 125.922 1.725 . . . . 0.0 113.702 176.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -77.74 167.79 20.98 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.842 1.257 . . . . 0.0 112.451 176.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.7 tp -145.15 140.57 28.06 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.775 1.63 . . . . 0.0 110.188 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -103.54 153.87 20.09 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.33 1.452 . . . . 0.0 112.629 -176.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -60.94 159.08 29.43 Favored Pre-proline 0 CA--C 1.552 1.049 0 C-N-CA 125.295 1.438 . . . . 0.0 113.124 169.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.61 169.19 17.91 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 123.645 2.896 . . . . 0.0 112.566 -174.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.0 t -171.49 -178.05 2.21 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.658 1.983 . . . . 0.0 110.488 -168.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 mt -105.45 -14.18 15.4 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 127.171 2.188 . . . . 0.0 110.756 173.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.0 mt -80.27 -169.78 2.23 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.504 1.521 . . . . 0.0 112.849 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 m -114.47 159.5 36.61 Favored Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 127.561 2.344 . . . . 0.0 111.394 -176.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -60.45 -26.78 83.54 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.978 3.119 . . . . 0.0 112.986 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -83.85 -11.74 56.55 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -87.36 -51.2 6.08 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.617 1.167 . . . . 0.0 111.249 176.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.1 mt -58.43 -49.61 76.67 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.836 1.654 . . . . 0.0 111.037 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -58.75 -40.6 84.3 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.162 173.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.91 -36.41 72.69 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.088 0.858 . . . . 0.0 112.874 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.21 -30.91 70.72 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.317 1.047 . . . . 0.0 112.874 174.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.2 t -86.54 -58.23 2.69 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.071 0.948 . . . . 0.0 112.139 177.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -68.66 -15.12 63.42 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.47 1.508 . . . . 0.0 114.446 -175.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.26 -17.03 71.8 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 124.889 1.233 . . . . 0.0 114.069 173.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -132.84 -45.81 0.87 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.483 1.113 . . . . 0.0 113.587 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.39 9.19 85.25 Favored Glycine 0 N--CA 1.476 1.362 0 C-N-CA 124.198 0.904 . . . . 0.0 113.551 -178.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.06 -177.66 6.34 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.747 2.019 . . . . 0.0 111.481 174.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -170.21 150.1 3.59 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.212 1.405 . . . . 0.0 113.727 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.671 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -152.2 156.58 40.05 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.748 1.619 . . . . 0.0 110.75 176.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -115.06 148.55 38.75 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.568 1.147 . . . . 0.0 110.369 172.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -138.74 159.67 41.55 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.972 1.309 . . . . 0.0 111.953 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -140.02 149.11 42.79 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.734 1.614 . . . . 0.0 111.128 174.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -79.35 113.21 17.31 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.618 -0.676 . . . . 0.0 111.789 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -97.37 -164.16 31.98 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 124.863 1.221 . . . . 0.0 111.774 168.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 67.1 ttt-85 -58.27 -43.74 88.09 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.451 1.1 . . . . 0.0 113.23 -177.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -105.45 -4.36 21.45 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 -169.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 148.4 -164.56 29.03 Favored Glycine 0 N--CA 1.472 1.036 0 C-N-CA 125.664 1.602 . . . . 0.0 113.238 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -68.73 131.5 45.28 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.076 0.951 . . . . 0.0 111.819 172.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -128.75 141.71 51.23 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.138 1.375 . . . . 0.0 110.974 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -81.4 141.78 33.62 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.037 0.935 . . . . 0.0 111.93 -169.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -69.24 160.14 31.73 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.061 0.945 . . . . 0.0 113.013 169.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.11 148.96 51.03 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.516 0.726 . . . . 0.0 110.59 169.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -64.63 -20.89 66.55 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.27 -39.48 94.71 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.745 1.618 . . . . 0.0 111.811 169.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.4 m -95.51 -49.19 5.52 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 127.216 2.206 . . . . 0.0 112.698 -170.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.6 p -61.86 -30.04 70.59 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -174.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -26.22 68.36 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.53 0.732 . . . . 0.0 112.934 173.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -76.08 -39.9 54.33 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.698 0.681 . . . . 0.0 109.847 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.9 mt -66.69 -44.28 82.16 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.628 1.571 . . . . 0.0 110.731 176.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -63.48 -30.22 71.37 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.122 1.369 . . . . 0.0 112.883 175.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -80.76 -28.54 36.39 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.063 -1.023 . . . . 0.0 111.476 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.17 -46.08 75.05 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -173.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -70.85 -19.57 62.63 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.659 0.663 . . . . 0.0 111.84 174.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.4 t -81.67 -31.83 32.07 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.885 1.274 . . . . 0.0 112.373 175.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -73.01 -42.49 63.16 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.093 1.357 . . . . 0.0 111.602 173.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.01 -6.85 9.4 Favored Glycine 0 C--N 1.341 0.827 0 C-N-CA 125.1 1.333 . . . . 0.0 114.091 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.18 153.29 42.82 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.197 1.499 . . . . 0.0 112.759 175.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -96.21 -6.83 37.24 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.317 1.447 . . . . 0.0 113.285 -176.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -166.45 142.02 4.58 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.659 1.984 . . . . 0.0 110.038 178.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.8 t -128.29 -179.97 5.3 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.104 1.361 . . . . 0.0 111.533 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -130.6 146.7 52.16 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 126.128 1.771 . . . . 0.0 111.42 -173.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.3 ptt? -151.31 146.59 26.13 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.872 1.269 . . . . 0.0 112.103 -174.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.95 142.13 33.71 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.697 1.599 . . . . 0.0 109.877 176.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.18 -151.62 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.901 1.28 . . . . 0.0 111.862 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.02 -17.88 29.33 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.91 17.39 0.03 OUTLIER Glycine 0 CA--C 1.533 1.2 0 N-CA-C 116.406 1.322 . . . . 0.0 116.406 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -150.45 152.03 33.65 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.708 1.254 . . . . 0.0 112.155 -170.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.72 124.38 37.68 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 169.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -113.36 130.88 56.17 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.799 1.24 . . . . 0.0 111.224 171.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.8 t -86.56 118.8 33.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 C-N-CA 125.38 1.472 . . . . 0.0 107.056 171.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.66 108.87 21.19 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.929 1.292 . . . . 0.0 109.165 175.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -85.74 119.82 26.49 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 125.043 1.337 . . . . 0.0 110.268 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.2 mp -86.28 -18.98 30.6 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.801 1.24 . . . . 0.0 112.315 -175.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -73.83 -47.54 37.73 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.382 1.073 . . . . 0.0 112.072 -177.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -98.68 -9.5 24.55 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.494 1.517 . . . . 0.0 111.767 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 56.21 70.15 0.67 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.566 1.946 . . . . 0.0 110.839 -173.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.6 m -143.57 168.71 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 125.179 1.392 . . . . 0.0 111.529 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -126.07 153.06 44.99 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.654 1.581 . . . . 0.0 111.07 171.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -162.47 160.78 26.64 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.927 1.691 . . . . 0.0 112.304 175.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -73.5 147.59 43.92 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.227 -0.921 . . . . 0.0 111.112 171.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 72.3 mtp85 -51.34 -33.58 29.99 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -176.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -85.29 -9.77 57.29 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 113.944 1.091 . . . . 0.0 113.944 -178.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -102.58 121.82 43.16 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.221 1.409 . . . . 0.0 111.122 -174.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -93.78 -33.35 13.62 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.727 1.211 . . . . 0.0 113.709 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -96.81 -65.73 0.92 Allowed Glycine 0 N--CA 1.468 0.831 0 C-N-CA 125.197 1.379 . . . . 0.0 113.152 -172.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -68.21 128.45 36.61 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.927 0.891 . . . . 0.0 110.995 -171.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 32.4 ptt-85 -155.67 150.28 26.13 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.105 1.362 . . . . 0.0 111.733 -170.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 45.2 ttm105 -117.36 138.84 51.53 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 126.197 1.799 . . . . 0.0 109.735 -176.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -69.04 139.85 54.91 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -175.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.4 pt -126.41 168.28 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.287 1.435 . . . . 0.0 110.66 169.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -156.53 165.85 35.11 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.906 1.282 . . . . 0.0 113.228 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.2 mtp-105 -100.55 151.3 21.75 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.996 1.319 . . . . 0.0 109.104 165.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.87 -178.86 7.0 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.521 1.529 . . . . 0.0 111.235 174.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.2 mm -133.31 138.71 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 125.714 1.606 . . . . 0.0 109.506 -172.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.671 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.2 mp -86.17 140.43 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.746 0.818 . . . . 0.0 111.111 175.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -99.62 -16.59 18.17 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 -176.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 25.8 mm 75.61 127.51 0.03 OUTLIER Pre-proline 0 N--CA 1.484 1.263 0 C-N-CA 129.279 3.032 . . . . 0.0 112.157 176.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -78.98 167.17 22.38 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 124.013 3.142 . . . . 0.0 112.018 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -59.68 -24.43 63.92 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 175.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -58.02 -18.08 21.78 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.798 1.639 . . . . 0.0 113.684 173.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -74.41 -8.83 80.97 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.468 1.509 . . . . 0.0 115.157 172.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.7 t -115.16 132.36 64.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 126.228 1.811 . . . . 0.0 109.016 176.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 78.1 p -162.37 163.18 27.99 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.083 1.353 . . . . 0.0 112.305 -176.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -86.44 -174.82 49.55 Favored Glycine 0 CA--C 1.543 1.803 0 C-N-CA 124.745 1.164 . . . . 0.0 114.143 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -58.17 156.24 30.73 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 124.638 3.559 . . . . 0.0 113.469 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.1 m -65.91 -8.37 21.96 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -176.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.6 p -86.48 -7.0 58.77 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.715 1.606 . . . . 0.0 114.073 175.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.179 0 CA-C-O 118.262 -1.299 . . . . 0.0 113.476 179.172 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo . . . . . 0 CA--C 1.539 0.773 0 N-CA-C 113.519 0.546 . . . . 0.0 113.519 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 t -164.28 154.07 14.21 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.222 1.409 . . . . 0.0 111.093 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.3 p -81.11 -12.95 59.14 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.571 1.148 . . . . 0.0 113.209 171.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.64 7.06 88.29 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 125.048 1.308 . . . . 0.0 115.313 174.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -162.36 173.17 14.49 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.034 1.417 . . . . 0.0 112.228 -176.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.6 t -165.04 151.2 10.08 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.117 1.767 . . . . 0.0 111.055 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.86 -143.28 30.89 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.31 0.957 . . . . 0.0 112.967 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -130.57 159.14 38.03 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.136 1.775 . . . . 0.0 111.608 -177.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.4 tp -71.34 137.06 48.15 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.781 1.233 . . . . 0.0 111.777 -177.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -152.14 170.56 19.66 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.495 1.918 . . . . 0.0 110.282 177.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -126.77 160.23 59.87 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 126.209 1.804 . . . . 0.0 113.388 -171.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -70.83 167.6 25.37 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 123.753 2.969 . . . . 0.0 112.002 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.404 HG21 HD11 ' A' ' 20' ' ' LEU . 14.2 t -176.11 178.85 1.36 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.536 1.934 . . . . 0.0 111.01 -167.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mt -107.3 -19.07 13.7 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.126 2.171 . . . . 0.0 111.496 177.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.9 mt -79.71 -177.97 6.15 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.827 1.251 . . . . 0.0 113.179 -176.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.8 m -95.19 157.93 35.61 Favored Pre-proline 0 CA--C 1.542 0.673 0 C-N-CA 126.406 1.883 . . . . 0.0 112.267 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -61.5 -23.86 77.3 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 124.111 3.207 . . . . 0.0 113.29 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -86.77 -11.34 51.31 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.511 1.124 . . . . 0.0 113.718 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -86.31 -51.41 6.26 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.604 1.162 . . . . 0.0 111.121 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.404 HD11 HG21 ' A' ' 13' ' ' THR . 5.2 mt -62.13 -48.07 81.75 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.871 1.668 . . . . 0.0 110.877 -176.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -65.4 -31.19 72.16 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 176.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.8 -35.21 64.88 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.049 0.841 . . . . 0.0 112.907 174.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.77 -36.5 83.28 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.752 0.821 . . . . 0.0 112.166 172.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -74.3 -52.97 10.69 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.003 0.921 . . . . 0.0 112.022 176.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -66.85 -32.07 73.09 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.912 1.285 . . . . 0.0 113.277 -178.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.72 -21.45 76.46 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 125.183 1.373 . . . . 0.0 113.343 177.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -90.11 -62.73 1.4 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.187 0.995 . . . . 0.0 110.286 168.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.45 3.88 90.54 Favored Glycine 0 N--CA 1.474 1.212 0 C-N-CA 124.306 0.955 . . . . 0.0 113.918 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.09 -177.89 4.73 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.673 1.589 . . . . 0.0 111.532 170.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -172.69 148.74 1.95 Allowed 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.19 1.396 . . . . 0.0 112.471 -175.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.639 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -155.17 151.17 27.88 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.013 1.325 . . . . 0.0 111.695 177.163 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 49.7 m95 -108.28 147.81 30.91 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.845 1.258 . . . . 0.0 109.697 169.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -136.63 161.33 36.2 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.879 1.272 . . . . 0.0 111.869 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -139.82 149.16 43.15 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.226 1.81 . . . . 0.0 111.021 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -77.12 133.6 38.95 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.483 0.658 . . . . 0.0 111.906 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -129.55 -168.16 12.27 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 126.369 1.938 . . . . 0.0 112.153 168.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -53.57 -42.67 67.8 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.306 1.442 . . . . 0.0 114.132 -171.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -106.51 -2.85 21.5 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 -172.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 146.15 -160.97 28.27 Favored Glycine 0 N--CA 1.471 1.023 0 C-N-CA 125.826 1.679 . . . . 0.0 113.203 178.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 93.9 m95 -70.51 136.47 49.41 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.044 0.938 . . . . 0.0 111.968 171.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -131.06 143.32 50.6 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.814 1.646 . . . . 0.0 110.481 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -86.07 141.87 29.13 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.59 0.756 . . . . 0.0 111.785 -169.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -69.25 154.34 42.21 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.65 0.78 . . . . 0.0 112.646 169.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -75.55 156.57 34.91 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.331 0.652 . . . . 0.0 110.855 170.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.94 -19.77 65.0 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -176.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -67.81 -33.93 75.76 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.812 0.845 . . . . 0.0 111.746 170.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.0 m -95.52 -50.19 5.08 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.987 2.115 . . . . 0.0 112.625 -170.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.4 p -63.12 -26.61 68.9 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -29.15 70.51 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 118.648 -0.691 . . . . 0.0 112.361 172.481 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -69.29 -39.17 78.49 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.429 1.013 . . . . 0.0 110.023 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.6 mt -69.9 -42.76 72.94 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.923 1.689 . . . . 0.0 111.0 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.45 -36.05 82.92 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.21 1.004 . . . . 0.0 112.908 172.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -74.27 -37.46 63.7 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 120.61 -1.306 . . . . 0.0 110.693 -177.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.34 -50.2 72.57 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.514 1.526 . . . . 0.0 114.431 -176.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.97 -24.47 66.06 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.895 0.77 . . . . 0.0 111.267 176.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.4 t -78.46 -32.83 48.6 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.673 1.189 . . . . 0.0 112.587 176.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -72.42 -41.99 65.59 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.983 1.313 . . . . 0.0 111.614 174.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.7 -7.1 8.96 Favored Glycine 0 C--N 1.34 0.8 0 C-N-CA 125.087 1.327 . . . . 0.0 113.968 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -65.67 150.36 48.61 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.116 1.458 . . . . 0.0 112.381 173.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -96.02 -3.94 44.01 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.246 1.419 . . . . 0.0 113.214 -176.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -166.89 141.28 3.96 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 126.502 1.921 . . . . 0.0 109.783 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 t -130.93 179.56 5.91 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.436 1.095 . . . . 0.0 112.356 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -127.87 146.69 50.54 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.77 1.628 . . . . 0.0 111.621 -170.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -154.87 147.61 24.38 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.842 1.257 . . . . 0.0 112.377 -173.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.8 144.01 31.69 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.917 1.687 . . . . 0.0 110.308 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.92 -150.72 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.171 1.389 . . . . 0.0 112.031 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.96 -17.33 23.67 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.78 13.45 0.03 OUTLIER Glycine 0 CA--C 1.534 1.254 0 N-CA-C 116.576 1.39 . . . . 0.0 116.576 178.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -147.46 157.47 43.59 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.999 1.4 . . . . 0.0 112.09 -169.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.29 124.62 43.01 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.769 1.227 . . . . 0.0 107.975 173.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -110.43 130.57 55.53 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 124.481 1.112 . . . . 0.0 111.631 170.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.2 t -88.09 115.9 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 C-N-CA 125.532 1.533 . . . . 0.0 106.87 169.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.57 113.15 24.81 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.219 1.408 . . . . 0.0 109.518 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -89.08 119.6 29.73 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.309 1.444 . . . . 0.0 110.6 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.6 mp -85.32 -9.38 57.72 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.727 1.611 . . . . 0.0 112.867 -173.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -93.86 -47.79 6.58 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.426 1.09 . . . . 0.0 111.666 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -88.22 -12.42 43.83 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.741 1.616 . . . . 0.0 112.093 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.0 mmt 55.53 59.42 3.9 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.506 1.922 . . . . 0.0 111.617 -174.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.8 m -139.54 163.37 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 124.548 1.139 . . . . 0.0 111.55 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -124.3 147.8 47.88 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.369 1.468 . . . . 0.0 111.13 171.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -157.04 161.54 39.52 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.737 1.615 . . . . 0.0 112.108 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -77.38 149.68 35.17 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.895 0.878 . . . . 0.0 110.502 175.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 69.3 mtp85 -53.01 -30.7 36.88 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 -171.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -92.81 -4.21 53.4 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -103.83 154.16 19.92 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.938 1.695 . . . . 0.0 112.058 -173.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -135.98 -32.94 0.86 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.773 1.629 . . . . 0.0 113.514 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.8 -57.21 1.64 Allowed Glycine 0 N--CA 1.47 0.938 0 C-N-CA 124.922 1.248 . . . . 0.0 112.322 -175.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -67.83 111.89 4.57 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.23 1.012 . . . . 0.0 109.712 174.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -151.46 143.31 23.79 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.73 1.612 . . . . 0.0 110.893 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -112.67 136.78 51.85 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.322 1.449 . . . . 0.0 109.568 -176.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -63.09 145.79 54.69 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.108 0.963 . . . . 0.0 113.201 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.3 pt -124.53 169.29 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.52 1.528 . . . . 0.0 110.01 168.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.7 pttt -155.24 167.79 29.2 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.864 1.266 . . . . 0.0 112.413 174.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -113.34 145.31 41.3 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.992 1.717 . . . . 0.0 109.766 169.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.79 178.5 9.58 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.006 1.323 . . . . 0.0 112.327 -177.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.6 mm -129.76 138.64 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 126.082 1.753 . . . . 0.0 109.86 -176.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.639 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.3 mp -88.61 140.76 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.763 0.825 . . . . 0.0 110.823 173.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -103.32 -16.0 15.78 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.9 mm 74.3 128.63 0.03 OUTLIER Pre-proline 0 N--CA 1.487 1.398 0 C-N-CA 128.847 2.859 . . . . 0.0 112.904 171.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -80.16 167.09 20.1 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 124.182 3.255 . . . . 0.0 111.743 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -60.39 -28.32 68.13 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 174.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -59.41 -19.22 45.48 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.597 1.559 . . . . 0.0 113.66 173.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -82.31 -8.86 85.78 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.477 1.513 . . . . 0.0 115.259 175.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.8 t -81.25 115.23 23.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 118.557 1.178 . . . . 0.0 109.211 177.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 64.3 m -155.08 157.3 37.31 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.741 1.616 . . . . 0.0 111.503 -173.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -77.28 165.24 53.04 Favored Glycine 0 CA--C 1.541 1.679 0 C-N-CA 124.08 0.848 . . . . 0.0 113.266 175.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -74.77 155.92 44.06 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.934 3.09 . . . . 0.0 111.917 -178.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 51.5 p -75.99 -3.55 36.32 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.559 1.144 . . . . 0.0 114.068 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 55.4 p -85.05 -6.29 59.32 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.614 1.565 . . . . 0.0 114.123 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.148 0 CA-C-O 118.185 -1.342 . . . . 0.0 113.315 178.65 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo . . . . . 0 CA--C 1.539 0.743 0 N-CA-C 113.432 0.512 . . . . 0.0 113.432 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 m -160.88 149.09 16.03 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.128 1.771 . . . . 0.0 110.62 178.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.5 p -165.93 166.88 17.15 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.28 1.432 . . . . 0.0 111.83 -175.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.37 -159.2 35.02 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 124.489 1.042 . . . . 0.0 113.433 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.3 m -66.75 147.69 52.91 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.728 1.211 . . . . 0.0 113.536 -176.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.4 p -80.67 -16.98 52.61 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.04 168.39 40.95 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 125.163 1.364 . . . . 0.0 113.589 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -70.87 155.39 40.86 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.55 1.14 . . . . 0.0 112.161 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.4 tp -67.18 132.8 48.53 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.615 1.166 . . . . 0.0 112.05 -176.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -92.47 139.72 30.3 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.96 1.304 . . . . 0.0 110.642 169.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -135.93 158.05 74.7 Favored Pre-proline 0 CA--C 1.549 0.921 0 C-N-CA 125.758 1.623 . . . . 0.0 112.493 -175.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -73.97 173.08 14.65 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 124.013 3.142 . . . . 0.0 112.599 -175.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.1 t -165.04 166.76 18.99 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.494 1.917 . . . . 0.0 111.368 -173.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp -105.72 -3.83 21.65 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.099 1.76 . . . . 0.0 111.767 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.4 mt -92.32 -174.0 3.58 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.159 1.384 . . . . 0.0 112.487 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 m -103.93 158.87 30.99 Favored Pre-proline 0 CA--C 1.54 0.596 0 C-N-CA 126.837 2.055 . . . . 0.0 111.94 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -60.87 -25.23 80.94 Favored 'Trans proline' 0 CA--C 1.534 0.506 0 C-N-CA 123.983 3.122 . . . . 0.0 113.022 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -85.5 -11.05 55.17 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 176.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -86.95 -51.67 5.9 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.742 1.217 . . . . 0.0 110.997 174.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 mt -61.91 -47.83 83.18 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.859 1.663 . . . . 0.0 110.886 -176.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -62.77 -36.76 84.12 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 173.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.73 -30.84 67.49 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.34 -30.93 70.82 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 173.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.0 t -89.07 -51.35 5.64 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.655 0.782 . . . . 0.0 111.672 177.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -63.52 -30.17 71.33 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.04 1.336 . . . . 0.0 113.382 -178.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.61 -16.21 73.85 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.341 1.448 . . . . 0.0 113.939 176.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -100.25 -66.67 0.89 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.448 1.099 . . . . 0.0 110.796 169.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.66 7.35 87.25 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.03 0.824 . . . . 0.0 113.924 175.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.03 -176.76 4.69 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.153 1.781 . . . . 0.0 111.352 172.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -171.65 151.17 2.86 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.476 1.511 . . . . 0.0 111.899 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.741 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -151.13 147.36 26.96 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.504 1.522 . . . . 0.0 110.167 176.163 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 37.8 m95 -107.83 147.55 30.74 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.441 1.096 . . . . 0.0 110.429 174.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -138.81 154.83 48.5 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.833 1.253 . . . . 0.0 111.588 -178.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -135.46 148.84 49.4 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.075 1.35 . . . . 0.0 111.165 172.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -78.09 103.16 7.85 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 118.136 0.425 . . . . 0.0 110.075 173.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.48 -136.81 9.51 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 125.316 1.436 . . . . 0.0 112.846 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -58.53 -31.51 67.99 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 -172.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -144.74 -10.73 0.6 Allowed 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -173.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 166.53 -161.49 35.21 Favored Glycine 0 N--CA 1.471 0.98 0 C-N-CA 124.969 1.271 . . . . 0.0 112.596 -176.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -67.56 124.95 24.67 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.107 0.963 . . . . 0.0 112.049 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -124.73 137.36 54.34 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 125.212 1.405 . . . . 0.0 110.101 174.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -79.94 137.47 36.88 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.671 0.788 . . . . 0.0 111.011 -172.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -68.81 158.34 34.61 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.0 0.92 . . . . 0.0 112.796 170.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -74.15 161.24 30.18 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.46 0.704 . . . . 0.0 111.279 174.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -70.17 -19.52 63.19 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.135 0.974 . . . . 0.0 113.277 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -70.23 -37.66 75.04 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.846 0.858 . . . . 0.0 111.685 171.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 50.4 m -93.9 -50.11 5.49 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.289 1.835 . . . . 0.0 112.715 -169.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.1 p -61.81 -29.57 70.24 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -175.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -28.89 70.36 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 118.847 -0.597 . . . . 0.0 112.271 173.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -71.16 -38.43 72.19 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.342 0.974 . . . . 0.0 110.144 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.7 mt -68.66 -43.59 75.87 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.823 1.649 . . . . 0.0 110.812 178.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -65.19 -33.51 76.17 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.199 1.4 . . . . 0.0 113.09 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -81.05 -34.07 33.05 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.123 -0.986 . . . . 0.0 111.469 -177.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.13 -50.09 74.7 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.103 1.361 . . . . 0.0 114.008 -176.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -68.69 -22.47 64.36 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 118.946 0.794 . . . . 0.0 112.476 175.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 t -78.95 -28.74 43.72 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.534 1.133 . . . . 0.0 112.428 175.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -77.33 -42.17 37.71 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.02 1.328 . . . . 0.0 111.961 174.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.73 -7.63 8.3 Favored Glycine 0 N--CA 1.469 0.895 0 C-N-CA 125.062 1.315 . . . . 0.0 114.129 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -66.0 150.85 48.02 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 118.95 1.375 . . . . 0.0 112.27 171.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -98.47 0.22 44.73 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.931 1.292 . . . . 0.0 113.556 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -170.51 152.29 3.89 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.721 2.008 . . . . 0.0 109.774 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 t -143.75 172.45 12.81 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.368 1.467 . . . . 0.0 111.153 -175.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -121.96 145.49 48.07 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.068 1.347 . . . . 0.0 111.519 -172.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.5 ptt? -151.18 147.96 27.66 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.04 1.336 . . . . 0.0 111.903 -173.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.05 141.35 36.36 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 125.716 1.607 . . . . 0.0 109.825 177.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -119.2 -152.26 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.691 1.196 . . . . 0.0 111.779 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.76 -15.78 22.76 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 115.594 1.702 . . . . 0.0 115.594 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.73 14.82 0.03 OUTLIER Glycine 0 CA--C 1.533 1.195 0 N-CA-C 116.747 1.459 . . . . 0.0 116.747 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -149.53 152.38 35.47 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.869 1.334 . . . . 0.0 112.179 -169.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.49 125.42 36.22 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.55 1.14 . . . . 0.0 108.335 169.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -117.52 138.19 52.06 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.476 1.111 . . . . 0.0 111.603 170.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.6 t -92.97 122.48 44.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 126.03 1.732 . . . . 0.0 107.174 173.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.86 119.06 38.13 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.163 1.385 . . . . 0.0 109.692 175.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -103.17 117.44 34.53 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.333 1.853 . . . . 0.0 111.139 -173.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.5 mt -77.24 -20.99 54.46 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.46 1.504 . . . . 0.0 113.05 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -67.1 -51.08 58.66 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.969 0.804 . . . . 0.0 112.391 -178.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -102.01 -8.81 21.16 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.979 1.712 . . . . 0.0 111.972 -176.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 56.32 63.33 2.02 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.847 2.059 . . . . 0.0 111.472 -171.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 26.7 m -139.42 171.59 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 C-N-CA 124.604 1.162 . . . . 0.0 111.317 178.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.461 ' NE2' HN61 ' A' ' 201' ' ' ATP . 2.0 pp0? -144.28 141.7 29.98 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.092 0.957 . . . . 0.0 111.694 174.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -157.26 167.18 31.07 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.945 1.698 . . . . 0.0 113.983 -169.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -72.03 143.97 48.95 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 121.234 -0.916 . . . . 0.0 111.679 170.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 72.5 mtp85 -47.37 -38.2 12.63 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.175 1.39 . . . . 0.0 114.63 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -99.15 -8.44 25.14 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -178.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -122.48 78.59 1.53 Allowed 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 122.422 1.106 . . . . 0.0 111.644 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -66.18 -15.45 63.15 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 115.25 -0.887 . . . . 0.0 112.663 172.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -87.5 -5.78 78.39 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.756 1.646 . . . . 0.0 114.365 174.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -117.8 87.98 2.82 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.865 1.332 . . . . 0.0 109.701 176.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -132.72 149.81 52.24 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 113.911 -1.495 . . . . 0.0 113.271 -169.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -125.13 140.44 52.88 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.665 1.986 . . . . 0.0 109.808 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -62.4 142.81 57.66 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.256 1.022 . . . . 0.0 112.477 175.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.1 pt -125.77 167.21 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.858 1.263 . . . . 0.0 111.083 170.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 43.9 pttt -155.52 167.35 30.67 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.377 1.471 . . . . 0.0 113.228 175.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.2 mtp-105 -105.95 152.07 23.78 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.479 1.512 . . . . 0.0 109.63 166.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.84 177.53 10.02 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.611 1.564 . . . . 0.0 111.138 172.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.8 mm -128.7 137.6 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.125 1.37 . . . . 0.0 110.046 -174.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.741 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.4 mp -88.49 141.45 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.066 0.946 . . . . 0.0 111.001 174.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -103.38 -17.17 15.38 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.4 mm 73.22 128.43 0.03 OUTLIER Pre-proline 0 N--CA 1.487 1.424 0 C-N-CA 128.557 2.743 . . . . 0.0 112.95 172.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -79.77 168.02 19.83 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 124.007 3.138 . . . . 0.0 111.538 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -60.01 -33.18 71.64 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 175.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -63.18 -18.86 63.95 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.363 1.465 . . . . 0.0 113.516 173.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.97 -8.51 79.01 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 126.037 1.78 . . . . 0.0 115.085 177.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.7 t -73.38 116.91 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 118.484 1.142 . . . . 0.0 109.133 176.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 50.3 m 71.77 136.74 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 127.915 2.486 . . . . 0.0 113.262 -171.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 169.09 -169.07 41.67 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 124.588 1.09 . . . . 0.0 113.962 -178.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -57.37 147.46 77.37 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 124.592 3.528 . . . . 0.0 113.191 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.7 t -164.23 171.89 14.35 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.318 1.447 . . . . 0.0 111.284 -178.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.0 t -163.42 160.26 23.22 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.788 1.635 . . . . 0.0 111.421 -177.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.238 0 C-N-CA 125.319 1.438 . . . . 0.0 112.854 -178.118 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ATP . . . . . 0.461 HN61 ' NE2' ' A' ' 80' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo . . . . . 0 CA--C 1.541 0.858 0 N-CA-C 113.848 0.672 . . . . 0.0 113.848 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.8 p -165.54 171.09 13.6 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.085 1.354 . . . . 0.0 111.636 -174.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.5 m -140.34 144.17 36.16 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.328 1.451 . . . . 0.0 110.69 178.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.56 50.69 3.86 Favored Glycine 0 N--CA 1.474 1.188 0 C-N-CA 125.235 1.398 . . . . 0.0 114.203 -172.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 m 64.25 18.03 11.06 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.379 1.872 . . . . 0.0 113.781 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 p -81.12 -12.2 59.3 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.426 1.49 . . . . 0.0 114.525 -175.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.33 144.19 17.77 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 125.056 1.313 . . . . 0.0 112.433 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -82.08 174.03 11.6 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.6 1.16 . . . . 0.0 112.427 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.8 tp -148.47 141.49 24.86 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.256 1.423 . . . . 0.0 110.56 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -66.17 151.14 47.59 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.018 1.327 . . . . 0.0 113.041 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -131.83 157.42 78.23 Favored Pre-proline 0 CA--C 1.55 0.962 0 C-N-CA 125.799 1.64 . . . . 0.0 112.598 -175.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -75.08 175.69 10.92 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 124.282 3.322 . . . . 0.0 113.02 -174.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.6 t -157.54 163.79 38.01 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 126.765 2.026 . . . . 0.0 110.918 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp -99.03 -4.74 31.79 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.689 1.596 . . . . 0.0 111.681 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.2 mt -93.74 -174.68 3.52 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.137 1.375 . . . . 0.0 112.587 -176.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 m -104.47 159.14 30.31 Favored Pre-proline 0 CA--C 1.542 0.647 0 C-N-CA 127.106 2.162 . . . . 0.0 111.793 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -61.08 -24.95 80.44 Favored 'Trans proline' 0 CA--C 1.535 0.532 0 C-N-CA 124.014 3.143 . . . . 0.0 113.123 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -86.05 -11.68 52.18 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.561 1.144 . . . . 0.0 113.999 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -85.41 -51.49 6.51 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.461 1.104 . . . . 0.0 111.148 176.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.62 -47.41 85.54 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.768 1.627 . . . . 0.0 110.514 -176.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -61.84 -38.13 87.06 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.36 0.664 . . . . 0.0 112.476 173.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.15 -37.36 72.23 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.064 0.847 . . . . 0.0 112.807 178.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.12 -35.75 77.87 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.21 1.004 . . . . 0.0 112.391 175.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.1 t -79.92 -49.23 12.2 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.786 0.834 . . . . 0.0 112.365 177.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -68.41 -32.76 73.04 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.616 1.166 . . . . 0.0 113.299 -176.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.6 -12.37 81.79 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 125.324 1.44 . . . . 0.0 115.01 -177.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -80.53 -85.1 0.09 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.529 1.132 . . . . 0.0 111.317 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.41 -1.57 57.28 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.691 1.139 . . . . 0.0 115.267 170.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.35 177.8 8.18 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.605 1.203 . . . . 0.0 111.526 169.041 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -171.15 149.38 2.84 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.213 1.405 . . . . 0.0 114.037 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.693 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -153.12 155.67 37.2 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.843 1.657 . . . . 0.0 110.686 177.058 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.7 m95 -113.54 149.72 34.0 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.29 1.036 . . . . 0.0 110.685 169.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -137.18 160.18 39.74 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.061 1.344 . . . . 0.0 111.804 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -133.57 148.31 51.6 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.928 1.691 . . . . 0.0 111.151 173.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -79.93 112.21 17.0 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.862 -0.524 . . . . 0.0 110.145 175.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -98.21 -161.15 30.47 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.803 1.192 . . . . 0.0 112.021 169.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 67.0 ttt-85 -60.52 -43.76 96.77 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.412 1.085 . . . . 0.0 113.098 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -105.73 -6.26 19.26 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -169.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.1 -161.89 28.83 Favored Glycine 0 N--CA 1.472 1.078 0 C-N-CA 125.665 1.602 . . . . 0.0 113.023 178.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -68.17 133.2 48.51 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.906 0.882 . . . . 0.0 112.344 172.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -130.25 139.7 50.75 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.47 1.508 . . . . 0.0 110.391 176.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -83.57 139.67 32.71 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.616 0.766 . . . . 0.0 111.742 -169.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -71.19 154.43 41.69 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.943 0.897 . . . . 0.0 112.281 169.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -64.99 157.25 28.79 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.298 1.039 . . . . 0.0 112.238 174.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -65.47 -18.9 65.67 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.169 0.987 . . . . 0.0 112.77 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 -90.39 -15.23 31.41 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.773 1.229 . . . . 0.0 112.519 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 77.0 m -105.59 -50.26 3.24 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.787 1.635 . . . . 0.0 111.333 -177.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.7 p -59.41 -29.12 67.51 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -29.29 70.48 Favored 'General case' 0 C--N 1.342 0.251 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 174.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.82 -39.33 69.87 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.023 0.829 . . . . 0.0 109.871 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.7 mt -68.51 -45.17 73.02 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.646 1.579 . . . . 0.0 110.677 178.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.2 tp10 -63.88 -31.72 72.99 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.168 1.387 . . . . 0.0 112.679 176.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -80.64 -38.65 28.8 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.221 1.008 . . . . 0.0 110.932 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.23 -50.08 75.06 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.958 1.303 . . . . 0.0 114.14 -176.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -68.63 -19.55 64.43 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 118.839 0.745 . . . . 0.0 111.957 176.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 t -83.29 -31.11 27.07 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.809 1.244 . . . . 0.0 112.605 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -73.31 -41.82 63.08 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.126 1.37 . . . . 0.0 111.806 175.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.69 -7.46 8.34 Favored Glycine 0 C--N 1.34 0.781 0 C-N-CA 125.044 1.307 . . . . 0.0 114.158 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -65.85 151.13 47.38 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.077 1.438 . . . . 0.0 112.346 172.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -99.16 0.35 43.24 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.264 1.426 . . . . 0.0 113.19 -175.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.5 p-10 -171.39 147.09 2.38 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 126.904 2.082 . . . . 0.0 109.551 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.0 t -137.08 174.48 10.57 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.086 0.955 . . . . 0.0 112.441 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -121.16 145.04 48.23 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 126.07 1.748 . . . . 0.0 111.44 -171.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.4 ptt? -153.83 149.27 27.21 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.908 1.283 . . . . 0.0 112.576 -172.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.31 143.42 33.0 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.955 1.702 . . . . 0.0 110.294 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.93 -152.66 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 125.088 1.355 . . . . 0.0 112.003 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.26 -16.09 19.38 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.55 15.35 0.03 OUTLIER Glycine 0 CA--C 1.533 1.196 0 N-CA-C 116.74 1.456 . . . . 0.0 116.74 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -149.74 153.11 36.38 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.801 1.301 . . . . 0.0 112.069 -169.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.54 124.26 38.46 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.428 1.091 . . . . 0.0 108.122 169.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -113.45 134.62 54.56 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.777 1.231 . . . . 0.0 111.463 172.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.6 t -86.19 118.39 32.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 169.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.25 111.45 22.26 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.222 1.009 . . . . 0.0 108.784 170.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -85.88 110.85 19.7 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 125.216 1.406 . . . . 0.0 110.083 176.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.4 mp -83.23 -11.35 57.9 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.076 1.351 . . . . 0.0 112.145 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -70.45 -54.93 10.34 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.126 0.876 . . . . 0.0 111.973 174.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -101.58 -6.08 24.31 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.623 1.569 . . . . 0.0 112.325 -172.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.7 mmt 58.29 61.55 2.26 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.545 1.938 . . . . 0.0 111.24 -173.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.9 m -137.62 172.91 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.326 1.051 . . . . 0.0 110.925 174.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.0 142.85 27.94 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.155 0.982 . . . . 0.0 111.72 176.141 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -155.36 162.75 40.75 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.336 1.454 . . . . 0.0 113.88 -172.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -68.98 141.73 54.84 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.6 1.16 . . . . 0.0 111.249 171.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.6 mtp-105 -54.87 -31.27 59.51 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 114.36 1.245 . . . . 0.0 114.36 -172.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -81.55 -17.17 49.36 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -172.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -156.67 124.55 5.53 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 122.607 1.194 . . . . 0.0 112.871 177.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -76.95 -15.93 59.51 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.531 1.132 . . . . 0.0 114.038 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.55 -22.44 77.28 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 125.343 1.449 . . . . 0.0 113.6 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.6 mmm-85 -88.74 61.31 5.95 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.075 1.35 . . . . 0.0 110.206 175.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 23.0 ptt-85 -111.83 152.47 27.88 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.125 1.37 . . . . 0.0 114.26 -172.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -132.29 143.47 49.91 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 127.271 2.228 . . . . 0.0 109.796 175.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.69 148.55 46.16 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.003 1.321 . . . . 0.0 113.396 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 31.6 pt -131.23 169.92 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.189 1.396 . . . . 0.0 111.337 170.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -158.17 166.16 33.13 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.983 1.313 . . . . 0.0 113.198 174.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.3 mtp-105 -100.8 149.13 24.15 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.185 1.394 . . . . 0.0 108.922 165.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -151.84 -179.89 7.85 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.329 1.451 . . . . 0.0 111.459 174.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.4 mm -132.88 137.17 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 C-N-CA 125.644 1.578 . . . . 0.0 109.735 -171.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.693 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.2 mp -87.56 139.86 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.064 0.946 . . . . 0.0 110.891 176.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -103.62 -15.46 15.79 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 -178.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 24.6 mm 75.4 127.73 0.03 OUTLIER Pre-proline 0 N--CA 1.485 1.307 0 C-N-CA 129.278 3.031 . . . . 0.0 111.866 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -76.4 161.17 34.92 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 123.637 2.891 . . . . 0.0 112.451 -177.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -63.16 -20.3 65.27 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -178.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -88.2 -25.9 22.66 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.172 1.389 . . . . 0.0 112.682 172.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -87.08 -36.5 8.96 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 125.313 1.435 . . . . 0.0 113.497 -178.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.1 p -68.86 137.43 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.863 0.865 . . . . 0.0 110.866 175.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.3 t -164.63 164.82 21.41 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.304 1.442 . . . . 0.0 111.283 -177.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -79.37 160.22 45.58 Favored Glycine 0 CA--C 1.543 1.799 0 C-N-CA 124.549 1.071 . . . . 0.0 113.556 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -75.03 159.28 41.42 Favored 'Trans proline' 0 CA--C 1.536 0.6 0 C-N-CA 124.006 3.137 . . . . 0.0 111.752 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.1 m -75.54 -4.45 39.91 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 79.5 p -165.06 163.33 20.61 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.21 1.804 . . . . 0.0 111.858 -175.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.195 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.969 -179.187 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo . . . . . 0 CA--C 1.537 0.629 0 N-CA-C 113.395 0.498 . . . . 0.0 113.395 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 m -78.67 26.16 0.24 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.487 1.515 . . . . 0.0 114.827 -169.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 m 64.29 6.37 2.98 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 126.484 1.914 . . . . 0.0 114.458 173.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.18 20.2 68.92 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.198 0.904 . . . . 0.0 112.899 -169.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 t -153.33 -33.1 0.12 Allowed 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 -169.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -80.45 -14.29 58.41 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 120.684 -1.26 . . . . 0.0 112.005 169.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.24 161.97 35.78 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 126.773 2.13 . . . . 0.0 111.883 175.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -77.97 161.86 27.21 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.172 0.989 . . . . 0.0 112.799 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.6 tp -155.02 135.75 13.57 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.842 1.657 . . . . 0.0 109.952 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -145.44 146.75 31.63 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.104 1.761 . . . . 0.0 110.335 -178.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -134.5 157.34 77.58 Favored Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 125.856 1.662 . . . . 0.0 112.384 -172.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -73.54 169.4 22.4 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 124.093 3.195 . . . . 0.0 113.108 -170.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.462 HG21 HD11 ' A' ' 20' ' ' LEU . 14.2 t -175.23 -176.65 0.95 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 127.988 2.515 . . . . 0.0 110.003 -169.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mt -105.41 -14.43 15.33 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 127.36 2.264 . . . . 0.0 110.657 171.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.2 mt -88.11 -165.73 1.4 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.924 1.69 . . . . 0.0 112.844 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.3 m -114.41 158.35 40.17 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 127.559 2.343 . . . . 0.0 111.369 -177.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -61.24 -24.95 79.88 Favored 'Trans proline' 0 CA--C 1.535 0.57 0 C-N-CA 124.092 3.195 . . . . 0.0 113.216 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -86.82 -11.73 50.05 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.488 1.115 . . . . 0.0 113.96 176.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -85.8 -51.28 6.52 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.394 1.078 . . . . 0.0 111.274 177.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.462 HD11 HG21 ' A' ' 13' ' ' THR . 6.2 mt -58.86 -49.67 76.87 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.864 1.665 . . . . 0.0 110.577 -177.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -64.43 -34.06 77.31 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.65 0.78 . . . . 0.0 112.022 177.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.35 -43.35 64.17 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.891 0.769 . . . . 0.0 112.222 176.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.25 -43.6 98.61 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.471 1.108 . . . . 0.0 111.906 175.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.8 t -67.72 -50.05 59.43 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.671 0.788 . . . . 0.0 112.402 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.6 tpt85 -68.71 -27.11 65.65 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.79 -34.33 88.31 Favored Glycine 0 CA--C 1.533 1.156 0 C-N-CA 124.898 1.237 . . . . 0.0 114.295 -173.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -120.31 -40.11 2.72 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 171.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.31 8.99 85.6 Favored Glycine 0 N--CA 1.477 1.4 0 CA-C-N 118.924 0.783 . . . . 0.0 113.628 -176.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.51 -178.47 3.56 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.75 1.62 . . . . 0.0 111.496 170.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -170.8 150.77 3.28 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.384 1.474 . . . . 0.0 112.349 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.662 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -152.99 156.73 39.39 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.268 1.427 . . . . 0.0 111.216 176.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -113.59 147.32 38.25 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 124.917 1.287 . . . . 0.0 110.51 172.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -138.2 158.28 44.61 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.976 1.31 . . . . 0.0 112.064 -178.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -140.47 152.87 45.97 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.782 1.633 . . . . 0.0 111.06 175.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -78.87 118.96 21.39 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.639 -0.663 . . . . 0.0 111.748 178.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -106.42 -151.91 19.16 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.767 1.651 . . . . 0.0 112.604 170.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -66.47 -39.07 88.59 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.425 1.09 . . . . 0.0 113.821 -171.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -116.05 -6.67 11.95 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -171.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 155.17 -159.91 29.42 Favored Glycine 0 N--CA 1.472 1.034 0 C-N-CA 125.357 1.456 . . . . 0.0 113.214 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 92.8 m95 -71.06 132.04 44.53 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.17 0.988 . . . . 0.0 111.952 173.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 71.2 m95 -130.61 144.21 51.27 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.213 1.405 . . . . 0.0 110.957 177.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -81.74 142.0 33.04 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.846 0.858 . . . . 0.0 112.3 -169.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -69.28 159.92 32.18 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.1 0.96 . . . . 0.0 113.028 169.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -67.6 149.54 49.96 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.963 0.905 . . . . 0.0 111.736 171.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -67.27 -19.45 65.5 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.759 1.224 . . . . 0.0 113.488 -173.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -93.32 -12.42 30.07 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.019 0.928 . . . . 0.0 111.822 175.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.9 m -96.42 -52.71 3.86 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.297 1.439 . . . . 0.0 111.371 175.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.9 p -58.01 -31.99 67.5 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.108 0.963 . . . . 0.0 113.306 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -25.93 68.39 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.723 0.809 . . . . 0.0 112.728 176.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -76.13 -35.24 59.35 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.571 0.623 . . . . 0.0 110.377 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.8 mt -71.72 -43.13 66.41 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.797 1.639 . . . . 0.0 110.407 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -62.58 -31.23 72.01 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.665 1.586 . . . . 0.0 113.019 173.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -82.32 -26.47 32.99 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.11 -0.994 . . . . 0.0 111.648 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.29 -48.0 77.33 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -174.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -69.28 -21.43 63.88 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.709 -0.62 . . . . 0.0 112.323 174.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.3 t -80.06 -27.14 39.4 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.962 1.305 . . . . 0.0 112.556 174.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -78.32 -36.27 46.59 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.986 1.314 . . . . 0.0 112.235 172.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.23 -7.34 14.49 Favored Glycine 0 C--N 1.342 0.9 0 C-N-CA 125.313 1.435 . . . . 0.0 113.838 178.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.73 155.38 38.25 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 118.973 1.387 . . . . 0.0 112.78 172.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.9 pttt -99.26 -2.53 36.34 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.014 1.326 . . . . 0.0 113.862 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -167.4 151.22 6.5 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 126.024 1.73 . . . . 0.0 110.877 178.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.3 t -144.24 177.22 8.76 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.121 1.768 . . . . 0.0 110.791 -173.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -127.11 146.35 50.41 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 125.654 1.581 . . . . 0.0 111.923 -170.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.0 ptt? -152.83 149.87 28.75 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.286 1.435 . . . . 0.0 112.205 -176.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.96 144.21 31.83 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.9 1.68 . . . . 0.0 110.134 178.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.99 -151.99 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.967 1.307 . . . . 0.0 111.887 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.65 -16.22 24.76 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.92 14.93 0.03 OUTLIER Glycine 0 CA--C 1.533 1.19 0 N-CA-C 116.727 1.451 . . . . 0.0 116.727 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -148.75 154.04 39.02 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.938 1.369 . . . . 0.0 111.989 -170.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.38 124.29 36.32 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.477 1.111 . . . . 0.0 108.301 169.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -112.05 129.87 56.06 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.566 1.146 . . . . 0.0 111.447 170.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 46.4 t -84.66 121.0 36.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 C-N-CA 125.854 1.662 . . . . 0.0 106.852 168.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.74 119.16 37.69 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.91 1.284 . . . . 0.0 109.597 175.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -101.75 119.77 39.31 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.726 1.61 . . . . 0.0 111.145 -174.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.3 mt -77.73 -21.33 52.03 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.055 1.342 . . . . 0.0 113.032 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -66.33 -56.71 9.8 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.987 0.812 . . . . 0.0 111.451 -178.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -100.87 -10.26 20.85 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.92 1.688 . . . . 0.0 112.147 -173.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 57.39 67.65 0.95 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.38 1.872 . . . . 0.0 111.093 -174.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.1 m -140.14 166.3 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 125.746 1.619 . . . . 0.0 111.107 174.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -120.76 149.31 42.74 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.837 1.655 . . . . 0.0 110.251 170.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -163.03 162.24 25.82 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.453 1.501 . . . . 0.0 113.164 176.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.5 mtm-85 -73.3 149.51 42.62 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.032 -1.043 . . . . 0.0 112.076 174.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -56.46 -26.46 53.99 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 175.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -89.57 -11.42 42.79 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -177.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -157.6 123.41 4.67 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.572 1.078 . . . . 0.0 112.835 -174.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 57.3 p-80 -90.7 -17.16 27.25 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.99 1.316 . . . . 0.0 113.27 174.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.59 -18.4 78.54 Favored Glycine 0 N--CA 1.473 1.136 0 C-N-CA 125.709 1.624 . . . . 0.0 113.756 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -109.49 97.93 7.41 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.383 1.473 . . . . 0.0 109.345 169.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -134.03 148.13 51.04 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.511 1.524 . . . . 0.0 112.294 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -123.72 144.71 49.5 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.763 1.625 . . . . 0.0 109.958 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -68.09 140.44 56.24 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.326 1.051 . . . . 0.0 113.083 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.7 pt -128.02 167.56 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.085 1.354 . . . . 0.0 110.81 170.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -155.98 165.85 35.22 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.079 1.352 . . . . 0.0 113.028 175.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.3 mtp-105 -102.45 152.18 21.43 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.162 1.385 . . . . 0.0 109.381 166.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.34 -179.67 7.75 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.402 1.481 . . . . 0.0 111.608 175.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 27.7 mm -130.04 139.18 52.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 126.007 1.723 . . . . 0.0 109.057 -176.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.662 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.2 mp -83.37 139.52 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.207 176.244 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -96.87 -21.91 17.21 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.162 1.385 . . . . 0.0 114.587 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.7 mm 76.45 126.8 0.03 OUTLIER Pre-proline 0 N--CA 1.485 1.277 0 C-N-CA 129.441 3.096 . . . . 0.0 111.793 177.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -79.42 167.22 21.43 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 124.12 3.213 . . . . 0.0 112.115 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -59.83 -26.33 65.71 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 175.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -57.82 -20.52 36.52 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.502 1.521 . . . . 0.0 113.582 173.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.51 -10.69 85.62 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 125.403 1.478 . . . . 0.0 115.339 174.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.9 t -81.41 122.94 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 CA-C-N 118.592 1.196 . . . . 0.0 109.507 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.9 m -162.98 160.49 24.76 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 127.161 2.184 . . . . 0.0 110.429 -178.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.35 149.29 45.29 Favored Glycine 0 CA--C 1.542 1.759 0 CA-C-O 119.019 -0.878 . . . . 0.0 112.786 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -75.07 148.36 34.89 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.687 2.924 . . . . 0.0 111.866 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 54.4 p -90.24 1.23 56.7 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.09 1.356 . . . . 0.0 113.514 176.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.6 m -65.36 140.15 58.63 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.78 1.632 . . . . 0.0 113.395 -177.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 CA-C-O 118.311 -1.272 . . . . 0.0 112.855 177.929 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo . . . . . 0 N--CA 1.48 0.717 0 N-CA-C 113.35 0.481 . . . . 0.0 113.35 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.9 p -164.34 -82.98 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.735 1.214 . . . . 0.0 111.221 -178.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.7 p -84.66 -11.96 54.87 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.151 1.381 . . . . 0.0 113.127 172.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.82 -165.92 31.91 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 126.368 1.937 . . . . 0.0 112.945 176.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.4 m -147.37 147.54 30.4 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.144 1.778 . . . . 0.0 110.787 -177.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 m -131.75 13.7 4.87 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -170.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.44 136.34 14.59 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 124.611 1.1 . . . . 0.0 112.757 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -144.54 167.33 22.79 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.566 1.946 . . . . 0.0 111.471 -177.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.8 tp -154.86 151.16 28.26 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.561 1.545 . . . . 0.0 110.585 -174.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -145.27 170.95 15.28 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.959 1.703 . . . . 0.0 110.996 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -140.78 161.21 55.43 Favored Pre-proline 0 CA--C 1.554 1.097 0 C-N-CA 126.336 1.855 . . . . 0.0 113.331 -168.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -72.19 176.36 8.63 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 124.229 3.286 . . . . 0.0 113.072 -175.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.6 t -159.14 167.46 29.08 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 126.156 1.782 . . . . 0.0 111.697 -173.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp -108.43 -4.53 17.26 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.432 1.893 . . . . 0.0 111.855 -178.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.0 mt -90.35 -175.04 4.36 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.962 1.305 . . . . 0.0 112.571 -176.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.9 m -102.01 158.35 31.95 Favored Pre-proline 0 CA--C 1.541 0.61 0 C-N-CA 126.677 1.991 . . . . 0.0 111.963 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -60.86 -25.05 80.57 Favored 'Trans proline' 0 CA--C 1.534 0.503 0 C-N-CA 123.879 3.053 . . . . 0.0 113.098 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -86.38 -11.38 52.17 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.495 1.118 . . . . 0.0 113.961 177.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -86.29 -51.15 6.43 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.679 1.192 . . . . 0.0 110.899 173.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.61 -50.61 71.87 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.526 1.53 . . . . 0.0 110.584 -176.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -60.49 -34.64 74.36 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 174.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.15 -41.29 70.63 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.963 0.801 . . . . 0.0 112.39 177.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.68 -44.6 77.39 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.916 0.886 . . . . 0.0 111.895 174.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.8 t -65.43 -28.52 69.3 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.872 1.269 . . . . 0.0 113.112 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -61.59 -27.68 68.81 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.004 0.922 . . . . 0.0 112.594 172.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.67 -66.33 1.46 Allowed Glycine 0 CA--C 1.529 0.956 0 C-N-CA 125.161 1.362 . . . . 0.0 110.647 169.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -163.38 -31.82 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.182 1.393 . . . . 0.0 113.681 171.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.88 -3.15 45.02 Favored Glycine 0 N--CA 1.477 1.411 0 C-N-CA 125.361 1.458 . . . . 0.0 114.629 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.84 -178.81 6.41 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.315 1.446 . . . . 0.0 112.353 172.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -171.34 153.48 3.61 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.067 1.747 . . . . 0.0 112.562 178.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.676 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -154.5 156.31 36.45 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.139 1.775 . . . . 0.0 110.474 176.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -108.78 151.45 26.21 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.192 0.997 . . . . 0.0 111.197 170.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -138.54 158.34 44.43 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.666 1.586 . . . . 0.0 111.807 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -134.63 147.04 50.09 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.585 1.554 . . . . 0.0 111.71 175.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -72.75 106.19 4.63 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 123.449 0.699 . . . . 0.0 109.753 172.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.96 -170.47 36.81 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 124.977 1.275 . . . . 0.0 111.495 169.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.3 ttm105 -73.49 -23.64 60.08 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -171.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -111.47 -7.89 14.31 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 125.402 1.481 . . . . 0.0 114.809 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.05 -167.73 30.05 Favored Glycine 0 N--CA 1.473 1.126 0 C-N-CA 126.079 1.8 . . . . 0.0 113.178 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -66.34 128.89 37.92 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.605 0.762 . . . . 0.0 111.73 172.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 44.0 m95 -127.23 142.95 51.35 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.002 1.321 . . . . 0.0 111.187 176.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -81.16 140.01 35.24 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.534 0.734 . . . . 0.0 111.609 -171.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -71.74 155.41 40.49 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.906 0.882 . . . . 0.0 112.726 169.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -66.77 155.55 37.86 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.657 1.183 . . . . 0.0 112.183 172.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -67.16 -22.26 65.77 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.723 1.209 . . . . 0.0 113.306 -176.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -92.32 -13.33 30.45 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.945 0.898 . . . . 0.0 112.197 176.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.9 m -95.97 -53.44 3.67 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.116 1.367 . . . . 0.0 111.228 176.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.0 p -58.86 -30.74 67.95 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -28.87 70.14 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 118.861 -0.59 . . . . 0.0 112.432 174.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -71.83 -37.98 70.23 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.112 0.869 . . . . 0.0 110.106 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.9 mt -69.24 -42.41 75.68 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.741 1.616 . . . . 0.0 110.936 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -70.17 -26.43 63.91 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.043 0.937 . . . . 0.0 113.127 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -82.61 -36.38 26.17 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 120.457 -1.402 . . . . 0.0 111.393 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.94 -51.14 70.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.477 1.511 . . . . 0.0 114.002 -177.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -68.49 -23.98 64.63 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 118.608 0.64 . . . . 0.0 111.988 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.3 t -76.26 -30.11 57.72 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.648 1.179 . . . . 0.0 112.305 175.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -75.87 -41.36 52.42 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.502 1.121 . . . . 0.0 111.976 174.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 126.39 -7.55 7.52 Favored Glycine 0 N--CA 1.469 0.879 0 C-N-CA 125.216 1.389 . . . . 0.0 114.352 177.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -66.93 151.22 48.0 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.024 1.412 . . . . 0.0 112.292 171.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -97.63 -1.24 44.15 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.743 1.217 . . . . 0.0 113.727 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -169.87 153.35 4.79 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.458 1.903 . . . . 0.0 109.676 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.1 t -143.6 164.93 29.0 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.057 1.343 . . . . 0.0 111.298 -175.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -113.05 142.06 46.16 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 125.203 1.401 . . . . 0.0 110.832 -176.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 14.7 ptt? -144.81 144.63 31.25 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.84 1.256 . . . . 0.0 111.902 -173.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.65 141.5 33.43 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 125.59 1.556 . . . . 0.0 109.628 175.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.58 -153.7 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.889 1.275 . . . . 0.0 111.477 -178.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.08 -15.51 14.31 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.23 16.55 0.03 OUTLIER Glycine 0 CA--C 1.535 1.296 0 N-CA-C 116.908 1.523 . . . . 0.0 116.908 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -149.91 155.58 40.26 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 118.965 1.383 . . . . 0.0 111.902 -169.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.71 124.35 43.49 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 171.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -118.48 138.92 52.16 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 124.479 1.112 . . . . 0.0 111.315 172.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.0 t -91.77 128.69 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 125.504 1.522 . . . . 0.0 107.181 170.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.73 119.99 40.94 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.538 1.535 . . . . 0.0 109.759 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -106.34 121.08 43.5 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.17 1.788 . . . . 0.0 111.329 -172.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.2 mt -80.89 -20.89 41.22 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.931 1.693 . . . . 0.0 113.288 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -68.02 -50.7 53.86 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.995 0.816 . . . . 0.0 112.026 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -101.72 -10.89 19.57 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.942 1.697 . . . . 0.0 112.14 -174.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.1 mmt 57.87 68.86 0.79 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.959 2.104 . . . . 0.0 111.344 -171.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 26.9 m -147.81 162.77 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 124.279 1.032 . . . . 0.0 112.319 -175.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.38 148.71 51.33 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.436 1.495 . . . . 0.0 112.094 173.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -162.1 162.81 28.77 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.953 1.701 . . . . 0.0 112.986 -173.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.3 mtp-105 -80.74 146.05 31.21 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.301 1.041 . . . . 0.0 111.081 170.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.2 mtp-105 -52.76 -38.35 60.86 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -169.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -94.6 -4.41 47.85 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.757 1.223 . . . . 0.0 113.723 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -102.69 31.39 4.15 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.282 1.833 . . . . 0.0 111.736 -173.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 35.4 p80 -56.7 -20.01 19.57 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 116.068 1.877 . . . . 0.0 116.068 -169.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -76.98 -5.54 84.9 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 125.768 1.652 . . . . 0.0 114.789 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 74.8 ttt-85 -144.41 141.07 29.41 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.068 1.747 . . . . 0.0 111.062 -175.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -162.91 157.92 21.79 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.496 1.119 . . . . 0.0 112.989 -169.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -130.75 136.35 48.66 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.661 1.584 . . . . 0.0 110.528 -173.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -58.45 147.64 30.94 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 -172.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 5.0 pt -130.29 165.48 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 125.835 1.654 . . . . 0.0 110.107 168.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.5 pttt -155.95 170.5 21.99 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.678 1.191 . . . . 0.0 113.123 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.7 mtt85 -104.37 152.88 21.75 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.112 1.365 . . . . 0.0 109.494 166.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -149.02 179.44 7.87 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.546 1.539 . . . . 0.0 111.233 171.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.0 mm -128.22 137.76 56.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.268 1.427 . . . . 0.0 110.366 -174.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.676 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.1 mp -90.5 141.21 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.078 0.951 . . . . 0.0 110.203 171.195 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -100.96 -24.95 14.24 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.9 mm 72.3 127.76 0.03 OUTLIER Pre-proline 0 N--CA 1.487 1.413 0 C-N-CA 128.693 2.797 . . . . 0.0 112.394 176.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -78.42 164.66 26.15 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.861 3.041 . . . . 0.0 111.456 178.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -59.5 -33.14 70.97 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 176.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -63.73 -22.88 67.13 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.492 1.517 . . . . 0.0 113.397 174.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -86.29 -13.07 69.09 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 125.462 1.506 . . . . 0.0 114.894 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 58.3 t -71.62 112.37 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 118.536 1.168 . . . . 0.0 109.502 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 18.4 m -139.46 10.17 2.49 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.506 1.122 . . . . 0.0 113.75 -170.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.12 -167.41 49.46 Favored Glycine 0 CA--C 1.543 1.795 0 C-N-CA 124.421 1.01 . . . . 0.0 112.765 -171.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -71.11 129.92 16.9 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.437 2.758 . . . . 0.0 110.9 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.7 t -170.06 -173.72 1.6 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.943 1.697 . . . . 0.0 111.007 -175.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 39.3 m 68.78 14.65 8.97 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 126.821 2.048 . . . . 0.0 114.974 173.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.152 0 C-N-CA 125.551 1.548 . . . . 0.0 113.561 179.593 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo . . . . . 0 CA--C 1.537 0.654 0 N-CA-C 113.139 0.4 . . . . 0.0 113.139 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.1 m -78.46 -2.06 36.67 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -174.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -161.23 170.06 20.99 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.887 1.675 . . . . 0.0 111.136 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.44 -141.0 15.47 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 125.3 1.429 . . . . 0.0 111.827 -174.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.0 m -72.97 5.7 3.13 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 -174.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.6 p -76.48 -8.76 57.84 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.456 -1.402 . . . . 0.0 114.12 176.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.7 147.16 14.38 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 124.807 1.194 . . . . 0.0 113.924 176.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -146.87 161.24 41.12 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 127.075 2.15 . . . . 0.0 110.727 -177.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.8 tp -156.01 151.05 26.41 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.133 1.373 . . . . 0.0 111.308 -175.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -148.52 169.02 21.21 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.3 1.84 . . . . 0.0 111.095 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -88.31 159.3 47.78 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 126.402 1.881 . . . . 0.0 114.008 -171.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -74.21 177.22 8.55 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 124.335 3.357 . . . . 0.0 112.647 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.4 t -161.46 169.63 21.51 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.835 1.654 . . . . 0.0 111.88 -175.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp -113.33 -4.54 13.65 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.592 1.957 . . . . 0.0 111.825 -179.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.9 mt -88.67 -175.69 5.01 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.848 1.259 . . . . 0.0 112.583 -176.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.9 m -98.14 157.67 34.09 Favored Pre-proline 0 CA--C 1.54 0.591 0 C-N-CA 126.542 1.937 . . . . 0.0 112.008 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -61.07 -24.42 79.4 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 123.952 3.101 . . . . 0.0 113.108 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -86.8 -11.44 50.96 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.528 1.131 . . . . 0.0 113.896 177.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -86.56 -51.28 6.26 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.763 1.225 . . . . 0.0 110.937 173.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mt -61.16 -50.82 71.62 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 125.566 1.546 . . . . 0.0 110.753 -177.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -61.19 -31.54 71.29 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 175.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.44 -41.68 62.93 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.019 0.827 . . . . 0.0 112.451 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.57 -43.25 81.07 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.9 0.88 . . . . 0.0 111.928 174.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.5 t -68.44 -20.72 64.66 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.479 1.112 . . . . 0.0 113.306 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -66.1 -27.05 67.77 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.805 0.842 . . . . 0.0 112.072 171.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -85.69 -66.46 1.42 Allowed Glycine 0 CA--C 1.528 0.864 0 C-N-CA 125.215 1.388 . . . . 0.0 110.691 169.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -164.18 -31.42 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.885 1.274 . . . . 0.0 113.816 173.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.82 -2.18 52.26 Favored Glycine 0 N--CA 1.476 1.342 0 C-N-CA 125.281 1.419 . . . . 0.0 114.67 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.24 -178.72 6.55 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.365 1.466 . . . . 0.0 112.096 171.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -171.41 152.73 3.35 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.983 1.713 . . . . 0.0 112.536 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.706 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -153.24 152.74 31.52 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.827 1.651 . . . . 0.0 110.728 177.124 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -108.26 149.51 28.51 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.791 1.236 . . . . 0.0 110.578 173.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -139.66 150.01 44.4 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.731 1.612 . . . . 0.0 112.027 -177.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -135.87 150.98 49.56 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.384 1.474 . . . . 0.0 112.072 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -75.96 113.05 13.03 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 120.776 0.322 . . . . 0.0 110.881 172.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.24 -146.85 20.68 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 125.369 1.461 . . . . 0.0 111.955 170.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -76.08 -42.57 46.89 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.747 0.819 . . . . 0.0 112.44 178.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -106.85 -8.94 16.52 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 -170.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 155.96 -159.48 29.36 Favored Glycine 0 N--CA 1.473 1.166 0 C-N-CA 124.847 1.213 . . . . 0.0 113.315 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -76.17 131.11 39.16 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.164 0.986 . . . . 0.0 111.644 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -130.81 143.32 50.66 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.962 1.305 . . . . 0.0 111.268 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -83.08 141.15 32.22 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.615 0.766 . . . . 0.0 111.143 -174.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -70.51 162.83 28.07 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 169.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -76.13 154.35 35.55 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.268 0.627 . . . . 0.0 110.202 169.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -68.24 -19.62 64.75 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.407 1.083 . . . . 0.0 113.6 -177.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -67.76 -37.06 81.61 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.946 0.899 . . . . 0.0 111.416 170.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.1 m -90.3 -52.62 4.84 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.521 1.928 . . . . 0.0 112.431 -173.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 85.2 p -60.43 -30.68 69.79 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.332 0.969 . . . . 0.0 113.528 -173.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -29.74 71.0 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-O 118.754 -0.641 . . . . 0.0 112.233 175.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -69.63 -35.55 75.33 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.278 0.945 . . . . 0.0 110.362 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.9 mt -74.57 -42.8 58.11 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.864 1.666 . . . . 0.0 110.693 -177.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -69.52 -26.95 64.77 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.944 0.898 . . . . 0.0 113.248 174.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -80.56 -35.71 33.98 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 120.593 -1.317 . . . . 0.0 111.432 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.83 -52.33 65.52 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.235 1.414 . . . . 0.0 114.336 -176.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -68.17 -23.22 64.83 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.678 0.672 . . . . 0.0 112.055 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 t -76.53 -31.2 57.5 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.699 1.2 . . . . 0.0 112.31 174.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -74.54 -41.26 60.9 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.621 1.169 . . . . 0.0 111.846 174.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 126.08 -7.57 7.66 Favored Glycine 0 N--CA 1.469 0.852 0 C-N-CA 125.083 1.325 . . . . 0.0 114.218 178.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -66.73 150.84 48.51 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.062 1.431 . . . . 0.0 112.223 171.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -97.88 -1.3 43.3 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.959 1.304 . . . . 0.0 113.517 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -167.86 150.17 5.63 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.09 1.756 . . . . 0.0 110.663 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.4 t -140.84 -179.9 6.33 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.681 1.592 . . . . 0.0 110.91 -176.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -130.71 145.13 51.86 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 125.077 1.351 . . . . 0.0 111.614 -170.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -153.62 151.35 29.62 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.829 1.251 . . . . 0.0 112.093 -174.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.34 142.33 34.75 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.962 1.705 . . . . 0.0 109.989 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -119.35 -150.93 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.874 1.27 . . . . 0.0 111.712 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.89 -15.84 24.6 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.45 13.85 0.03 OUTLIER Glycine 0 CA--C 1.534 1.269 0 N-CA-C 116.847 1.499 . . . . 0.0 116.847 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -149.18 150.24 32.31 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.909 1.355 . . . . 0.0 112.321 -169.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.41 125.43 35.55 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.656 1.183 . . . . 0.0 108.462 169.637 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -117.39 134.82 54.38 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.845 1.258 . . . . 0.0 112.015 173.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 42.1 t -90.65 108.62 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 125.658 1.583 . . . . 0.0 108.402 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.491 ' HB2' HE22 ' A' ' 80' ' ' GLN . . . -81.34 100.14 9.05 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.971 1.708 . . . . 0.0 111.284 178.251 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -89.31 116.78 27.78 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.931 1.292 . . . . 0.0 111.119 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.5 mt -77.19 -22.5 52.29 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.317 1.447 . . . . 0.0 112.76 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -67.62 -48.28 67.24 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 118.954 0.797 . . . . 0.0 112.321 -176.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -100.24 -11.14 20.63 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.09 1.756 . . . . 0.0 111.495 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 58.76 66.84 1.0 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.889 2.076 . . . . 0.0 111.052 -170.044 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.2 m -147.24 157.73 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -174.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.491 HE22 ' HB2' ' A' ' 73' ' ' ALA . 47.5 mm-40 -114.02 140.15 48.68 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 126.553 1.941 . . . . 0.0 111.451 172.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -153.45 153.84 33.27 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.924 1.29 . . . . 0.0 112.209 171.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -71.95 140.72 49.31 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.921 0.888 . . . . 0.0 110.419 174.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 72.6 mtp85 -47.66 -36.55 11.2 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 -173.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -97.13 -4.73 38.78 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.673 1.189 . . . . 0.0 114.201 -177.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -102.79 109.34 20.89 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.767 1.227 . . . . 0.0 111.267 -174.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -93.11 -22.42 19.1 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.818 1.247 . . . . 0.0 113.236 177.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.05 -12.21 83.59 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.937 1.256 . . . . 0.0 115.628 -171.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 -140.51 165.2 28.1 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.301 1.441 . . . . 0.0 113.787 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -165.49 157.17 14.61 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 127.291 2.236 . . . . 0.0 112.215 169.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -118.06 127.09 53.46 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.165 1.786 . . . . 0.0 110.604 177.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.2 145.68 55.5 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.878 1.271 . . . . 0.0 113.34 179.189 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.1 pt -131.88 167.02 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.287 1.435 . . . . 0.0 111.609 177.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -155.63 166.52 33.26 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.316 1.446 . . . . 0.0 112.467 -178.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -105.1 154.07 20.66 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.978 1.311 . . . . 0.0 111.028 168.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.81 -179.18 6.61 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.631 1.572 . . . . 0.0 110.97 169.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.8 mm -128.5 137.95 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 125.813 1.645 . . . . 0.0 109.963 -174.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.706 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.1 mp -90.28 140.88 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 123.97 0.908 . . . . 0.0 110.167 171.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -101.78 -23.39 14.2 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -178.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 25.2 mm 72.92 128.64 0.03 OUTLIER Pre-proline 0 N--CA 1.488 1.469 0 C-N-CA 128.574 2.749 . . . . 0.0 112.159 176.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -76.29 164.06 31.57 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 123.647 2.898 . . . . 0.0 111.486 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -58.88 -29.58 67.11 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -68.98 -23.55 64.13 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.406 1.483 . . . . 0.0 113.354 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -91.94 -8.95 62.91 Favored Glycine 0 N--CA 1.475 1.237 0 C-N-CA 125.789 1.662 . . . . 0.0 115.342 -177.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 72.9 t -74.99 120.42 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.554 1.142 . . . . 0.0 110.009 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 12.6 m -162.16 138.84 8.0 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.66 1.984 . . . . 0.0 110.796 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -101.11 171.39 22.41 Favored Glycine 0 CA--C 1.542 1.742 0 C-N-CA 125.003 1.287 . . . . 0.0 113.509 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -73.79 153.05 48.01 Favored 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 123.921 3.08 . . . . 0.0 111.298 177.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.6 m -77.83 -2.38 36.25 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -175.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.7 m -167.47 161.99 14.24 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 127.213 2.205 . . . . 0.0 111.323 -177.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 C-N-CA 125.027 1.299 . . . . 0.0 112.719 177.808 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo . . . . . 0 N--CA 1.485 0.986 0 N-CA-C 113.023 0.355 . . . . 0.0 113.023 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m 69.08 8.89 7.1 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 125.666 1.586 . . . . 0.0 115.002 169.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 t -163.79 160.48 22.46 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.245 1.818 . . . . 0.0 110.735 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.55 156.95 33.95 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.699 1.142 . . . . 0.0 113.6 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -85.63 8.22 20.35 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.818 1.247 . . . . 0.0 113.804 -178.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -73.37 23.28 0.07 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 127.009 2.124 . . . . 0.0 115.929 -169.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.35 -179.0 52.29 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.921 1.248 . . . . 0.0 113.385 175.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -73.14 171.84 12.19 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.198 0.999 . . . . 0.0 112.046 173.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.9 tp -122.49 137.8 54.76 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.852 1.261 . . . . 0.0 111.083 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -150.01 169.76 20.45 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.486 1.914 . . . . 0.0 110.275 173.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -141.11 159.51 61.36 Favored Pre-proline 0 CA--C 1.549 0.914 0 C-N-CA 126.578 1.951 . . . . 0.0 112.909 -169.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -72.31 171.11 17.62 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 124.056 3.171 . . . . 0.0 112.68 -174.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.2 t -170.09 173.43 5.92 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.383 1.873 . . . . 0.0 111.246 -169.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mt -105.76 -19.16 13.84 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.064 2.146 . . . . 0.0 111.658 177.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.0 mt -78.57 179.37 7.13 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 123.03 1.395 . . . . 0.0 113.366 -174.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.9 m -87.32 155.12 54.54 Favored Pre-proline 0 CA--C 1.541 0.6 0 C-N-CA 126.68 1.992 . . . . 0.0 112.285 177.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -62.69 -18.69 65.37 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 124.124 3.216 . . . . 0.0 113.218 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -83.09 -33.25 26.42 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.908 0.883 . . . . 0.0 112.147 176.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -68.93 -49.01 61.78 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.117 1.367 . . . . 0.0 111.796 -176.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 mt -64.66 -44.44 90.4 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.94 1.696 . . . . 0.0 110.299 -176.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -62.04 -45.39 93.79 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.972 170.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.38 -33.2 75.39 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.509 1.05 . . . . 0.0 113.411 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.3 -28.67 66.99 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.092 0.957 . . . . 0.0 113.561 175.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -95.77 -52.74 3.96 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.843 0.857 . . . . 0.0 111.433 176.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -63.19 -20.96 65.89 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.019 1.728 . . . . 0.0 114.076 -175.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.75 -18.65 57.12 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.544 1.545 . . . . 0.0 114.617 177.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -146.16 -34.61 0.3 Allowed 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 169.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.48 9.51 69.23 Favored Glycine 0 CA--C 1.535 1.288 0 O-C-N 121.139 -0.976 . . . . 0.0 114.748 172.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.09 -176.2 4.45 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.779 1.632 . . . . 0.0 111.903 171.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -170.38 152.31 4.0 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.616 1.566 . . . . 0.0 112.36 178.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.716 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -153.01 156.46 38.85 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.679 1.592 . . . . 0.0 111.049 177.093 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -116.89 147.84 41.83 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.912 1.285 . . . . 0.0 110.346 171.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -137.12 155.32 49.76 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.976 1.31 . . . . 0.0 111.627 -178.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -128.4 149.51 50.51 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.826 1.65 . . . . 0.0 111.627 174.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -79.65 108.91 13.56 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 172.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.01 -158.13 31.98 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.951 1.262 . . . . 0.0 112.126 171.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.76 -44.35 96.85 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.097 0.959 . . . . 0.0 112.83 -177.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -107.73 -9.52 15.79 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 -170.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 153.81 -159.54 28.78 Favored Glycine 0 N--CA 1.473 1.156 0 C-N-CA 125.227 1.394 . . . . 0.0 113.406 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -69.52 132.55 46.44 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.107 0.963 . . . . 0.0 112.596 174.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 72.8 m95 -133.25 139.2 46.81 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.372 1.469 . . . . 0.0 110.782 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -82.0 141.63 33.08 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.576 0.75 . . . . 0.0 111.799 -170.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -71.61 162.57 29.24 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.406 1.082 . . . . 0.0 113.712 171.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -78.41 148.28 33.69 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.81 0.844 . . . . 0.0 110.712 170.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.88 -19.96 65.47 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -178.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -63.26 -39.98 96.12 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.684 1.194 . . . . 0.0 111.525 170.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 66.0 m -92.36 -52.05 4.85 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 127.169 2.187 . . . . 0.0 112.162 -173.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 86.4 p -61.17 -30.09 70.19 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.089 0.859 . . . . 0.0 113.301 -173.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -29.78 70.73 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 174.348 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.0 -34.7 71.63 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.208 0.913 . . . . 0.0 110.387 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.0 mt -75.24 -43.35 52.07 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.003 1.721 . . . . 0.0 110.495 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -63.86 -30.89 71.93 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.543 1.537 . . . . 0.0 113.219 175.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -81.09 -33.42 33.36 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.155 -0.966 . . . . 0.0 111.546 -177.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.57 -50.84 71.93 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.002 1.321 . . . . 0.0 114.119 -173.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -68.55 -21.82 64.53 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 118.69 0.677 . . . . 0.0 112.317 175.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 t -79.96 -28.79 39.57 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.753 1.221 . . . . 0.0 112.406 175.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -76.77 -41.09 46.09 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.993 1.317 . . . . 0.0 111.992 173.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.63 -7.25 8.4 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 124.926 1.251 . . . . 0.0 114.379 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -67.35 151.3 47.71 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 118.904 1.352 . . . . 0.0 112.183 171.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -97.47 -2.08 42.79 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.8 1.24 . . . . 0.0 113.677 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -167.47 150.62 6.18 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.974 1.709 . . . . 0.0 110.669 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.3 t -141.63 179.98 6.51 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.724 1.609 . . . . 0.0 111.026 -176.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -129.59 146.97 51.35 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 125.344 1.458 . . . . 0.0 111.88 -172.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -156.26 155.19 31.92 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.131 1.373 . . . . 0.0 111.987 -176.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.59 142.42 35.37 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.9 1.68 . . . . 0.0 110.008 177.703 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -119.59 -152.82 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.885 1.274 . . . . 0.0 111.869 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.76 -16.22 15.79 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 178.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.72 15.57 0.03 OUTLIER Glycine 0 CA--C 1.533 1.195 0 N-CA-C 116.656 1.423 . . . . 0.0 116.656 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -150.5 152.19 33.83 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.83 1.315 . . . . 0.0 112.552 -169.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.07 125.83 35.97 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 169.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -118.67 134.16 55.32 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.963 0.905 . . . . 0.0 112.127 171.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 49.6 t -86.13 109.52 18.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 125.892 1.677 . . . . 0.0 108.272 174.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.5 99.93 8.29 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.573 1.549 . . . . 0.0 111.105 176.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -86.23 116.23 24.28 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.224 1.41 . . . . 0.0 110.876 175.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.8 mt -71.72 -32.3 67.63 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.022 1.329 . . . . 0.0 112.529 177.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -63.48 -48.63 76.86 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.467 1.107 . . . . 0.0 112.875 -171.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -101.08 -6.78 23.91 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.325 1.45 . . . . 0.0 112.087 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 58.99 65.27 1.24 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.857 2.063 . . . . 0.0 111.553 -174.093 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.8 m -145.01 160.89 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -175.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -121.19 132.32 54.76 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 127.953 2.501 . . . . 0.0 110.339 178.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -152.19 160.15 43.44 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.253 1.021 . . . . 0.0 113.681 176.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 -71.5 140.05 49.8 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.142 0.977 . . . . 0.0 111.116 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -49.06 -39.29 26.97 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.363 1.465 . . . . 0.0 114.517 -175.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -97.1 -0.57 46.87 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.044 1.337 . . . . 0.0 113.847 -176.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -147.16 60.54 1.18 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.98 1.312 . . . . 0.0 110.497 -169.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -61.41 -20.47 63.1 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -176.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.12 -12.28 75.64 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 125.497 1.522 . . . . 0.0 114.437 177.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.12 14.44 4.23 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 118.783 1.292 . . . . 0.0 113.475 177.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -56.19 146.2 24.06 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 116.448 2.018 . . . . 0.0 116.448 -168.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 -136.13 137.1 40.64 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 127.254 2.222 . . . . 0.0 110.838 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.85 147.85 51.12 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 -171.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.2 pt -135.65 170.98 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 126.752 2.021 . . . . 0.0 111.446 170.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.7 pttt -155.5 165.86 35.31 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.571 1.548 . . . . 0.0 112.823 173.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 30.0 mtp-105 -101.46 152.04 21.23 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.369 1.468 . . . . 0.0 109.623 166.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.31 178.04 10.21 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.141 1.376 . . . . 0.0 111.682 174.199 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.7 mm -128.52 139.46 51.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 125.485 1.514 . . . . 0.0 110.393 -176.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.716 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.0 mp -92.98 140.85 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.988 0.915 . . . . 0.0 110.448 171.034 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -104.48 -21.83 13.39 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.7 mm 75.91 127.69 0.03 OUTLIER Pre-proline 0 N--CA 1.486 1.364 0 C-N-CA 129.123 2.969 . . . . 0.0 111.85 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -77.16 166.9 25.77 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 123.778 2.986 . . . . 0.0 111.497 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -58.46 -33.94 70.3 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -64.12 -22.88 67.11 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.121 1.368 . . . . 0.0 113.316 174.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -88.93 -8.72 68.93 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 125.814 1.673 . . . . 0.0 115.139 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 65.9 t -76.49 116.23 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-N 118.544 1.172 . . . . 0.0 109.555 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.6 m -165.92 156.87 13.39 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 127.533 2.333 . . . . 0.0 110.218 -178.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -73.35 135.03 20.43 Favored Glycine 0 CA--C 1.542 1.736 0 CA-C-O 118.402 -1.221 . . . . 0.0 111.981 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -77.67 158.4 31.91 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.604 2.869 . . . . 0.0 111.786 -179.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.9 m -75.77 -4.54 41.08 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -178.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.1 t -164.39 161.41 21.57 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.347 1.859 . . . . 0.0 111.007 -178.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.167 0 C-N-CA 125.174 1.369 . . . . 0.0 112.866 -178.265 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo . . . . . 0 CA--C 1.541 0.852 0 N-CA-C 113.462 0.524 . . . . 0.0 113.462 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 t -163.36 152.24 14.32 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.036 1.335 . . . . 0.0 111.163 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.0 p -88.76 -6.17 57.58 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.943 1.297 . . . . 0.0 113.455 173.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.29 148.82 30.04 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 124.874 1.226 . . . . 0.0 113.131 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t -165.69 167.39 17.18 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.851 1.66 . . . . 0.0 110.809 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.3 m -167.82 152.08 6.46 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.733 2.013 . . . . 0.0 111.206 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.55 147.84 18.83 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 124.767 1.175 . . . . 0.0 112.005 172.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -142.41 159.41 42.28 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.689 1.596 . . . . 0.0 111.987 -173.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.2 tp -155.55 147.67 23.55 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.096 1.759 . . . . 0.0 110.253 -177.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -151.65 173.07 15.11 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.805 1.642 . . . . 0.0 111.575 -176.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -127.51 158.77 68.76 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 126.623 1.969 . . . . 0.0 112.944 -173.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -73.36 174.05 12.77 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 124.251 3.301 . . . . 0.0 112.744 -175.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.4 t -166.17 169.08 14.74 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.505 1.922 . . . . 0.0 111.075 -172.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mt -102.72 -20.0 14.54 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.8 2.04 . . . . 0.0 111.589 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.4 mt -77.93 179.17 6.91 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 123.065 1.412 . . . . 0.0 113.373 -173.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.9 m -89.85 155.88 47.44 Favored Pre-proline 0 CA--C 1.539 0.55 0 C-N-CA 126.653 1.981 . . . . 0.0 112.3 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -61.82 -20.32 68.79 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 124.113 3.209 . . . . 0.0 113.094 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -82.03 -33.37 30.02 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.232 1.013 . . . . 0.0 112.219 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -69.57 -48.67 59.5 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.921 1.288 . . . . 0.0 111.583 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 mt -63.73 -48.82 75.51 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 125.749 1.62 . . . . 0.0 109.948 -177.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -58.82 -41.49 86.98 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 118.753 -0.641 . . . . 0.0 112.58 171.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.39 93.0 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.607 1.094 . . . . 0.0 112.651 177.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.94 -43.8 91.57 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.066 0.946 . . . . 0.0 111.859 173.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.9 t -65.48 -37.63 87.4 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.818 1.247 . . . . 0.0 112.998 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -68.3 -17.24 64.23 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.956 1.302 . . . . 0.0 113.352 172.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.02 -58.81 2.16 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.918 1.247 . . . . 0.0 110.467 169.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -164.3 -30.81 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.431 1.492 . . . . 0.0 113.924 173.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.04 27.83 6.42 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 125.202 1.382 . . . . 0.0 113.626 -169.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -140.39 -176.85 4.77 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.63 1.972 . . . . 0.0 110.332 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -171.66 150.8 2.78 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.467 1.507 . . . . 0.0 112.911 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.719 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -153.51 153.45 32.46 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.244 1.418 . . . . 0.0 112.496 177.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -101.54 147.57 26.23 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.493 1.517 . . . . 0.0 110.595 169.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -139.82 150.98 45.34 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.821 1.248 . . . . 0.0 112.154 176.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -130.85 149.92 52.26 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.273 1.429 . . . . 0.0 111.986 175.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -76.6 110.56 11.27 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 120.753 0.311 . . . . 0.0 110.403 172.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -90.95 -147.65 19.71 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.268 1.413 . . . . 0.0 111.714 171.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -73.38 -40.7 64.13 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 122.023 -0.693 . . . . 0.0 112.733 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -108.95 -10.1 15.08 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 115.48 1.659 . . . . 0.0 115.48 -170.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 155.91 -160.29 29.92 Favored Glycine 0 N--CA 1.474 1.231 0 C-N-CA 125.044 1.307 . . . . 0.0 113.443 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -71.77 131.09 42.6 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.349 1.059 . . . . 0.0 111.915 174.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -131.02 140.86 50.17 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.845 1.258 . . . . 0.0 111.02 177.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -82.24 142.43 32.14 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.015 0.926 . . . . 0.0 111.203 -172.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -72.62 162.22 29.76 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -72.12 153.7 41.52 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.837 1.255 . . . . 0.0 111.943 170.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -69.44 -19.6 63.78 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.81 1.244 . . . . 0.0 113.368 -175.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.1 mmt85 -95.07 -13.4 25.19 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.232 1.013 . . . . 0.0 112.079 177.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.4 m -95.49 -53.61 3.68 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.854 1.262 . . . . 0.0 110.979 175.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 64.9 p -58.23 -30.22 66.35 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -178.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -28.85 70.31 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 175.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -71.56 -36.39 70.91 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 118.926 0.785 . . . . 0.0 110.064 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.5 mt -72.65 -41.84 65.01 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.935 1.694 . . . . 0.0 110.557 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -61.55 -33.24 73.5 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.999 1.32 . . . . 0.0 113.295 172.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -82.09 -34.19 29.43 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.274 -0.891 . . . . 0.0 111.249 -175.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.56 -50.37 73.81 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.996 1.318 . . . . 0.0 114.104 -174.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -67.63 -24.48 65.47 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.868 0.758 . . . . 0.0 112.026 175.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.0 t -76.87 -30.55 56.29 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.734 1.214 . . . . 0.0 112.504 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -75.55 -41.31 55.25 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.879 1.272 . . . . 0.0 111.894 174.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.72 -7.44 8.9 Favored Glycine 0 N--CA 1.469 0.888 0 C-N-CA 125.038 1.304 . . . . 0.0 113.952 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -65.84 151.03 47.6 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.05 1.425 . . . . 0.0 112.387 172.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -96.49 -2.51 45.08 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.871 1.269 . . . . 0.0 113.551 -178.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -169.03 152.2 5.06 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.263 1.825 . . . . 0.0 110.43 178.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.1 t -142.55 -179.12 6.11 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.469 1.507 . . . . 0.0 111.129 -176.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -130.96 146.52 52.39 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.32 1.448 . . . . 0.0 111.743 -170.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -155.34 152.93 29.74 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.925 1.29 . . . . 0.0 112.215 -174.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.66 143.07 34.33 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.892 1.677 . . . . 0.0 110.212 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.76 -152.52 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.983 1.313 . . . . 0.0 111.966 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.18 -15.63 15.88 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 178.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.45 15.01 0.03 OUTLIER Glycine 0 CA--C 1.534 1.276 0 N-CA-C 116.68 1.432 . . . . 0.0 116.68 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -150.1 150.5 31.78 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.857 1.328 . . . . 0.0 112.381 -169.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.51 126.08 35.8 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.67 1.188 . . . . 0.0 108.227 169.276 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -118.19 136.89 53.36 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.75 1.22 . . . . 0.0 112.503 173.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 41.0 t -92.47 109.11 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 C-N-CA 126.226 1.81 . . . . 0.0 108.517 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.447 ' HB2' HE22 ' A' ' 80' ' ' GLN . . . -81.55 101.91 10.27 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.606 1.562 . . . . 0.0 111.273 177.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -89.12 111.81 22.66 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.603 1.161 . . . . 0.0 110.684 177.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.7 mt -70.96 -26.7 63.28 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.562 1.545 . . . . 0.0 113.098 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -73.55 -46.39 47.81 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.9 0.88 . . . . 0.0 112.621 -172.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -101.13 -6.66 24.03 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.502 1.521 . . . . 0.0 112.107 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.4 mmt 57.92 64.83 1.43 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.772 2.029 . . . . 0.0 111.617 -175.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.9 m -145.02 157.45 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -177.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.447 HE22 ' HB2' ' A' ' 73' ' ' ALA . 36.5 mm-40 -120.5 129.58 53.9 Favored 'General case' 0 N--CA 1.461 0.108 0 C-N-CA 126.76 2.024 . . . . 0.0 110.82 176.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -148.63 157.91 43.78 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.705 1.202 . . . . 0.0 113.122 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.1 ttt-85 -73.06 143.13 47.57 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.583 1.153 . . . . 0.0 111.044 175.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.9 mtp85 -52.02 -32.87 35.93 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -173.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -86.18 -19.43 30.06 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -174.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.15 127.91 7.33 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 122.578 1.18 . . . . 0.0 113.399 -178.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 53.4 p-80 -82.94 -15.75 50.11 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.209 1.404 . . . . 0.0 114.067 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.1 -13.88 60.54 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.091 1.329 . . . . 0.0 115.011 -175.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -86.23 1.13 51.97 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.511 1.525 . . . . 0.0 113.475 173.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -54.37 128.77 33.03 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -168.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -112.29 132.89 54.71 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.87 2.068 . . . . 0.0 110.524 178.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -67.08 145.76 55.01 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.881 1.272 . . . . 0.0 113.354 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.5 pt -129.36 170.63 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.459 1.503 . . . . 0.0 111.462 174.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -152.05 165.18 35.51 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.692 1.197 . . . . 0.0 112.767 178.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 61.3 mtp85 -106.1 142.31 36.01 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 126.107 1.763 . . . . 0.0 109.063 169.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -149.57 179.99 7.54 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.786 1.234 . . . . 0.0 112.235 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.0 mm -129.48 139.83 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.916 1.686 . . . . 0.0 110.263 -175.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.719 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.4 mp -90.4 141.56 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.232 1.013 . . . . 0.0 110.521 172.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -99.78 -22.98 15.13 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.7 mm 73.34 127.12 0.03 OUTLIER Pre-proline 0 N--CA 1.487 1.376 0 C-N-CA 128.836 2.854 . . . . 0.0 112.46 175.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -80.12 165.48 21.49 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 124.087 3.191 . . . . 0.0 111.542 177.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -60.63 -32.57 71.72 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 175.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -62.97 -20.25 65.08 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.439 1.496 . . . . 0.0 113.437 173.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -83.38 -12.74 77.96 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 125.505 1.526 . . . . 0.0 114.846 178.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 62.0 t -70.52 116.31 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-N 118.561 1.18 . . . . 0.0 109.129 177.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.4 m -131.07 6.81 4.61 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 -169.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.32 -170.59 52.55 Favored Glycine 0 CA--C 1.544 1.848 0 C-N-CA 124.447 1.023 . . . . 0.0 113.51 -177.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -74.21 155.33 46.86 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.866 3.044 . . . . 0.0 111.972 -177.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.7 t -164.74 176.75 8.53 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.586 1.555 . . . . 0.0 111.084 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.7 t -160.81 140.57 10.89 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.404 1.482 . . . . 0.0 111.3 -178.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 C-N-CA 125.629 1.585 . . . . 0.0 113.133 177.652 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 CA--C 1.54 0.79 0 N-CA-C 113.351 0.481 . . . . 0.0 113.351 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 m -163.05 158.28 21.86 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.566 1.946 . . . . 0.0 110.472 178.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 m -78.38 0.46 25.58 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 -174.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.39 -141.31 7.62 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.735 1.636 . . . . 0.0 113.103 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.1 t -161.04 -39.23 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.654 1.182 . . . . 0.0 112.301 -178.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.9 p -157.16 160.44 38.77 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.245 1.418 . . . . 0.0 111.624 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.42 165.93 41.65 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.636 1.112 . . . . 0.0 113.459 -175.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -144.87 172.11 13.49 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.236 1.815 . . . . 0.0 111.577 -171.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.4 tp -139.17 135.51 34.09 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.493 1.517 . . . . 0.0 110.072 178.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -158.23 168.9 25.78 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.862 1.665 . . . . 0.0 111.521 -171.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -66.67 158.9 77.62 Favored Pre-proline 0 CA--C 1.554 1.118 0 C-N-CA 126.805 2.042 . . . . 0.0 113.223 176.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -72.11 172.08 15.47 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.908 3.072 . . . . 0.0 112.768 -174.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.7 t -167.09 171.33 11.09 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.599 1.96 . . . . 0.0 111.234 -169.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp -107.72 -4.41 18.2 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.169 1.788 . . . . 0.0 111.726 -179.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.4 mt -90.61 -178.91 5.42 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.828 1.251 . . . . 0.0 112.518 -177.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.6 m -89.77 156.27 47.41 Favored Pre-proline 0 CA--C 1.54 0.587 0 C-N-CA 126.329 1.852 . . . . 0.0 111.656 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -61.96 -21.36 72.19 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 124.09 3.193 . . . . 0.0 113.053 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -79.88 -32.81 40.36 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.315 1.046 . . . . 0.0 112.275 176.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -69.38 -48.22 61.83 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.944 1.298 . . . . 0.0 111.956 -174.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 mt -65.04 -41.9 94.78 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.781 1.632 . . . . 0.0 110.261 -176.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -63.64 -46.46 85.54 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.511 0.724 . . . . 0.0 111.826 170.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.34 -33.32 75.57 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.236 0.925 . . . . 0.0 113.327 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.57 -28.91 65.98 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.317 1.047 . . . . 0.0 113.393 174.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.7 t -93.51 -51.3 5.02 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.883 0.873 . . . . 0.0 111.546 176.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 tpp85 -60.41 -21.79 62.64 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.178 1.791 . . . . 0.0 114.377 -176.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.66 -19.38 67.07 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 125.146 1.355 . . . . 0.0 114.869 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -151.19 -34.25 0.15 Allowed 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 174.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.99 12.17 71.77 Favored Glycine 0 N--CA 1.478 1.462 0 O-C-N 121.01 -1.056 . . . . 0.0 115.072 173.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.32 -174.93 3.48 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.002 1.721 . . . . 0.0 111.531 170.371 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -171.3 152.23 3.3 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.85 1.66 . . . . 0.0 111.807 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.736 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -151.49 145.67 25.35 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.871 1.668 . . . . 0.0 110.019 175.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 27.6 m95 -107.34 147.8 29.84 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.515 1.126 . . . . 0.0 110.063 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -138.23 150.08 46.37 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.984 1.314 . . . . 0.0 111.934 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -137.18 155.79 49.12 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.539 1.536 . . . . 0.0 111.854 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -76.75 117.22 18.15 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.041 0.448 . . . . 0.0 111.85 175.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -104.74 -161.86 24.04 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.259 1.409 . . . . 0.0 112.165 169.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -61.77 -45.03 95.66 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.057 0.943 . . . . 0.0 112.735 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -106.69 -7.38 17.33 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -169.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 155.32 -159.2 28.98 Favored Glycine 0 N--CA 1.473 1.12 0 C-N-CA 125.026 1.298 . . . . 0.0 113.393 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -77.51 132.79 38.56 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.308 1.043 . . . . 0.0 111.661 175.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -131.81 144.58 51.02 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.804 1.242 . . . . 0.0 111.264 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -84.01 141.86 30.89 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.027 0.931 . . . . 0.0 111.236 -173.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -71.2 161.73 30.61 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 169.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -74.02 150.75 40.5 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.778 0.831 . . . . 0.0 111.171 169.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.49 -22.08 66.86 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -177.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -68.79 -39.5 80.1 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 121.362 -0.836 . . . . 0.0 111.349 170.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.2 m -82.06 -53.17 6.33 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.691 1.597 . . . . 0.0 112.524 -176.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.1 p -61.53 -31.53 71.55 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -171.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -28.35 69.87 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-O 118.899 -0.572 . . . . 0.0 112.263 175.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -70.46 -36.76 74.1 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.301 0.955 . . . . 0.0 110.304 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.2 mt -71.22 -43.07 68.05 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.892 1.677 . . . . 0.0 110.437 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -64.13 -33.0 74.77 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.604 1.562 . . . . 0.0 113.111 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -82.2 -33.37 29.42 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.114 -0.991 . . . . 0.0 111.519 -176.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.93 -48.63 79.35 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.894 1.278 . . . . 0.0 113.854 -177.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -69.73 -21.33 63.47 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 118.658 0.663 . . . . 0.0 112.499 175.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 t -80.46 -30.55 37.49 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.686 1.195 . . . . 0.0 112.428 175.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -74.46 -45.7 44.47 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.025 1.33 . . . . 0.0 111.303 176.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.65 -7.63 6.96 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 125.119 1.342 . . . . 0.0 114.034 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -66.63 151.53 47.16 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 118.87 1.335 . . . . 0.0 112.362 171.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -96.82 -3.24 42.54 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.819 1.248 . . . . 0.0 113.552 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -168.03 151.16 5.77 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 126.199 1.8 . . . . 0.0 110.301 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.9 t -140.2 179.04 6.86 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.386 1.474 . . . . 0.0 111.104 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -131.37 145.55 51.88 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 125.19 1.396 . . . . 0.0 111.581 -170.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -154.18 150.67 28.35 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.73 1.212 . . . . 0.0 112.107 -174.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.41 141.96 35.05 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.828 1.651 . . . . 0.0 109.786 177.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -118.12 -150.14 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.785 1.234 . . . . 0.0 111.499 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.43 -15.31 25.2 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 177.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.63 12.83 0.03 OUTLIER Glycine 0 CA--C 1.536 1.383 0 N-CA-C 116.883 1.513 . . . . 0.0 116.883 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -148.67 150.53 33.36 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.908 1.354 . . . . 0.0 112.408 -169.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.64 125.32 35.2 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.639 1.176 . . . . 0.0 108.511 169.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -117.21 134.75 54.42 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.659 1.183 . . . . 0.0 111.775 172.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.7 t -91.86 109.92 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 125.982 1.713 . . . . 0.0 108.37 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.483 ' HB2' HE22 ' A' ' 80' ' ' GLN . . . -82.44 98.72 9.04 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.909 1.684 . . . . 0.0 111.147 179.12 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -86.72 113.35 22.5 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.667 1.187 . . . . 0.0 110.886 177.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.5 mt -72.21 -26.54 62.09 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.3 1.44 . . . . 0.0 112.934 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -69.44 -46.99 65.45 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.913 0.885 . . . . 0.0 112.61 -173.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -101.19 -6.85 23.71 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.397 1.479 . . . . 0.0 112.086 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.1 mmt 58.46 63.18 1.77 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.892 2.077 . . . . 0.0 111.321 -173.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 35.4 m -142.68 153.68 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -177.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.483 HE22 ' HB2' ' A' ' 73' ' ' ALA . 50.7 mm-40 -106.32 140.21 39.61 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 125.971 1.708 . . . . 0.0 110.849 169.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -152.29 156.27 39.32 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.999 1.32 . . . . 0.0 112.401 169.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -74.83 142.98 44.13 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.536 1.135 . . . . 0.0 110.733 176.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 74.4 mtp85 -53.39 -27.69 25.42 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -71.42 -24.7 62.09 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -178.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -164.51 128.93 2.61 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.675 1.19 . . . . 0.0 111.927 175.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 52.8 p-80 -80.81 -15.59 56.0 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.436 1.272 . . . . 0.0 114.436 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.41 -64.33 4.22 Favored Glycine 0 N--CA 1.471 0.985 0 C-N-CA 125.893 1.711 . . . . 0.0 112.206 -174.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -66.15 119.22 11.07 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 117.611 0.705 . . . . 0.0 109.175 169.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -151.62 162.87 40.27 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.412 1.485 . . . . 0.0 112.244 -172.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -135.78 127.11 28.39 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.459 1.503 . . . . 0.0 110.762 -174.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.09 146.07 54.82 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.294 1.037 . . . . 0.0 112.895 177.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.4 pt -132.24 170.02 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.635 1.574 . . . . 0.0 111.299 176.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -155.31 165.84 35.39 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.852 1.261 . . . . 0.0 112.585 -179.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.2 mtp-105 -110.44 150.59 28.63 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.385 1.474 . . . . 0.0 110.902 169.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -145.72 167.18 23.77 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.203 2.201 . . . . 0.0 110.429 175.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.8 mm -121.4 135.87 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.024 1.33 . . . . 0.0 109.997 -178.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.736 HD11 ' HB2' ' A' ' 31' ' ' ALA . 4.9 mp -90.4 140.87 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 123.978 0.911 . . . . 0.0 110.634 171.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -102.98 -24.59 13.64 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.6 mm 75.11 129.01 0.03 OUTLIER Pre-proline 0 N--CA 1.486 1.342 0 C-N-CA 128.88 2.872 . . . . 0.0 111.677 177.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -76.01 170.76 19.45 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 123.629 2.886 . . . . 0.0 112.104 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -62.52 -13.34 29.53 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -72.77 -31.1 64.66 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.65 1.18 . . . . 0.0 112.469 170.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -92.1 -45.52 3.83 Favored Glycine 0 N--CA 1.474 1.223 0 C-N-CA 125.474 1.511 . . . . 0.0 112.481 172.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.2 t -84.79 69.05 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.105 1.362 . . . . 0.0 108.342 172.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 74.3 p -111.18 -10.89 14.28 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 -169.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -89.93 153.68 23.23 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 124.31 0.957 . . . . 0.0 113.178 -177.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -70.41 -21.78 29.97 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 123.189 2.593 . . . . 0.0 112.36 176.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 31.7 p -89.94 -1.91 58.06 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.593 1.557 . . . . 0.0 113.468 175.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.6 m -82.33 -3.44 55.39 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 120.819 -1.176 . . . . 0.0 113.986 -176.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.165 0 C-N-CA 125.43 1.491 . . . . 0.0 112.853 178.804 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo . . . . . 0 N--CA 1.48 0.73 0 N-CA-C 113.413 0.505 . . . . 0.0 113.413 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.0 p -162.11 162.75 28.73 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.183 1.393 . . . . 0.0 111.496 -179.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -65.62 -5.97 9.84 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -176.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.04 -11.7 84.16 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.784 1.183 . . . . 0.0 113.649 170.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.9 m -140.3 -35.09 0.51 Allowed 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -177.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.3 m 65.97 7.72 4.89 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 126.614 1.966 . . . . 0.0 115.635 171.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.27 166.38 41.22 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.417 1.484 . . . . 0.0 113.642 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -136.82 160.63 38.31 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.441 1.496 . . . . 0.0 112.34 -169.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.0 tp -155.38 149.73 25.99 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.134 1.774 . . . . 0.0 110.222 -176.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -149.53 168.32 23.84 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.397 1.479 . . . . 0.0 112.124 -176.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -83.15 161.85 56.23 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 126.877 2.071 . . . . 0.0 114.081 -173.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -72.86 178.55 6.27 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 124.08 3.187 . . . . 0.0 112.454 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.3 t -157.97 167.78 28.98 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.473 1.509 . . . . 0.0 112.311 -172.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mp -114.44 -3.32 13.04 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.683 1.993 . . . . 0.0 111.708 -177.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.1 mt -86.44 -173.54 4.58 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.862 1.265 . . . . 0.0 112.422 -178.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.9 m -101.85 157.88 32.84 Favored Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 126.651 1.98 . . . . 0.0 111.812 -178.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -60.62 -25.96 81.9 Favored 'Trans proline' 0 CA--C 1.535 0.529 0 C-N-CA 123.7 2.933 . . . . 0.0 112.981 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -85.27 -11.49 54.64 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.555 1.142 . . . . 0.0 113.907 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -86.47 -51.34 6.26 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.69 1.196 . . . . 0.0 110.683 173.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mt -61.54 -50.57 72.12 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 125.003 1.321 . . . . 0.0 110.742 -176.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -63.66 -14.84 55.69 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 175.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.83 -50.97 5.73 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.299 1.04 . . . . 0.0 111.764 172.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.6 -43.09 32.76 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.325 1.05 . . . . 0.0 113.321 -174.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.2 t -73.65 -28.54 61.83 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.863 0.865 . . . . 0.0 112.507 -176.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -65.98 -26.54 67.6 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.165 0.986 . . . . 0.0 112.28 171.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.78 -66.1 1.7 Allowed Glycine 0 CA--C 1.529 0.951 0 C-N-CA 125.223 1.392 . . . . 0.0 111.312 170.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -161.86 -25.32 0.05 OUTLIER 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.44 -2.35 57.49 Favored Glycine 0 N--CA 1.479 1.507 0 C-N-CA 125.446 1.498 . . . . 0.0 114.472 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.57 -176.97 6.29 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.431 1.492 . . . . 0.0 111.666 169.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -171.96 151.9 2.84 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.812 1.645 . . . . 0.0 112.745 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.706 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -156.01 151.39 26.84 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.339 1.456 . . . . 0.0 112.396 177.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 62.4 m95 -97.44 146.8 24.86 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.503 1.121 . . . . 0.0 111.318 171.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -136.67 160.83 37.63 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.955 1.702 . . . . 0.0 111.958 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -138.56 149.22 45.08 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.139 1.776 . . . . 0.0 111.315 174.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -79.67 111.86 16.37 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.671 0.669 . . . . 0.0 110.334 171.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -91.16 -152.1 27.63 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.249 1.404 . . . . 0.0 111.859 170.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -67.18 -41.97 85.01 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.766 0.826 . . . . 0.0 112.862 -178.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -106.73 -9.4 16.47 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 -170.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 153.46 -162.38 30.24 Favored Glycine 0 N--CA 1.473 1.111 0 C-N-CA 125.282 1.42 . . . . 0.0 113.079 178.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -67.99 131.82 46.17 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.824 0.85 . . . . 0.0 112.175 173.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.4 m95 -132.19 141.2 48.99 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.689 1.595 . . . . 0.0 110.684 177.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -77.79 139.37 39.33 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.166 0.586 . . . . 0.0 110.933 -175.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -67.89 153.03 44.6 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 171.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -66.76 152.56 45.28 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.051 0.94 . . . . 0.0 111.34 170.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -69.85 -18.06 63.41 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.749 0.82 . . . . 0.0 113.021 -175.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -82.84 -16.9 45.87 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.916 0.887 . . . . 0.0 112.305 172.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.1 m -100.38 -50.77 3.82 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.774 1.63 . . . . 0.0 111.735 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.6 p -61.02 -27.68 68.5 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -28.98 69.97 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 173.279 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.09 -39.5 72.09 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.937 0.79 . . . . 0.0 109.712 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.0 mt -70.04 -43.6 70.96 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.982 1.713 . . . . 0.0 110.855 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -57.32 -45.55 84.11 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.587 1.555 . . . . 0.0 111.969 171.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -72.7 -37.43 67.83 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.755 0.822 . . . . 0.0 110.532 -173.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.48 -50.05 71.2 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.396 1.478 . . . . 0.0 114.012 -178.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.14 -21.67 63.99 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.939 0.79 . . . . 0.0 111.659 176.591 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.6 t -79.19 -32.93 44.25 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.663 1.185 . . . . 0.0 112.865 174.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -72.92 -43.08 62.82 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.247 1.419 . . . . 0.0 111.585 175.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.49 -7.18 8.49 Favored Glycine 0 C--N 1.341 0.815 0 C-N-CA 124.952 1.263 . . . . 0.0 114.129 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -65.26 151.28 46.57 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.174 1.487 . . . . 0.0 112.317 173.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -98.9 -0.14 42.93 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.035 1.334 . . . . 0.0 113.211 -174.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -170.69 145.37 2.48 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.7 2.0 . . . . 0.0 109.592 176.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 t -135.57 177.1 8.08 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.305 1.042 . . . . 0.0 112.279 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -123.01 147.33 46.77 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.658 1.583 . . . . 0.0 111.549 -172.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.2 ptt? -153.67 148.76 26.8 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.147 1.379 . . . . 0.0 111.975 -173.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.67 142.1 35.26 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 125.843 1.657 . . . . 0.0 110.089 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.62 -153.05 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.835 1.254 . . . . 0.0 111.987 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.03 -15.99 16.28 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.4 15.2 0.03 OUTLIER Glycine 0 CA--C 1.535 1.292 0 N-CA-C 116.624 1.41 . . . . 0.0 116.624 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -150.16 152.4 34.62 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.712 1.256 . . . . 0.0 112.297 -169.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.35 125.54 36.14 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.827 1.251 . . . . 0.0 108.362 169.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -116.62 135.79 53.51 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.599 1.16 . . . . 0.0 111.283 170.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.9 t -89.71 121.72 40.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 C-N-CA 125.847 1.659 . . . . 0.0 106.961 171.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.13 118.82 33.48 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.955 1.302 . . . . 0.0 109.451 174.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -90.29 110.88 21.92 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.018 1.727 . . . . 0.0 109.89 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.1 mp -84.51 -6.81 59.4 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.045 1.338 . . . . 0.0 112.371 -176.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -84.09 -53.0 5.84 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.303 0.956 . . . . 0.0 111.576 173.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -95.66 -8.25 35.28 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.039 1.736 . . . . 0.0 112.22 -170.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 6.7 mmt 54.75 58.87 4.46 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.438 1.895 . . . . 0.0 111.656 -173.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.5 m -135.58 175.76 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 124.792 1.237 . . . . 0.0 111.114 173.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.98 147.23 28.33 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.752 1.221 . . . . 0.0 111.577 173.067 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -158.33 158.36 34.18 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.992 1.717 . . . . 0.0 111.985 -171.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.4 ttt-85 -66.76 152.26 45.84 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 120.989 -1.069 . . . . 0.0 110.872 169.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.6 mtp85 -51.81 -31.05 25.79 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 -172.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -98.43 -2.08 39.91 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 125.024 1.33 . . . . 0.0 114.267 178.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -102.98 147.28 27.14 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.012 2.125 . . . . 0.0 111.634 -169.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 28.6 p80 -149.06 -33.49 0.21 Allowed 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 174.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.51 -8.24 87.12 Favored Glycine 0 N--CA 1.476 1.334 0 C-N-CA 124.545 1.069 . . . . 0.0 115.006 -178.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.11 17.35 10.8 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.236 1.814 . . . . 0.0 112.716 -177.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 35.8 ptt-85 -54.25 139.85 34.75 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.464 1.506 . . . . 0.0 112.773 177.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -105.65 139.33 40.4 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.092 1.757 . . . . 0.0 109.827 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -65.62 146.06 55.28 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 175.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.4 pt -125.94 167.21 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.456 1.502 . . . . 0.0 109.876 167.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -155.86 170.1 22.89 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.738 1.215 . . . . 0.0 112.313 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -114.72 138.94 50.11 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.648 1.579 . . . . 0.0 109.099 168.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.92 -177.39 5.19 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.304 1.842 . . . . 0.0 111.273 -175.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.5 mm -129.51 137.98 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 125.368 1.467 . . . . 0.0 110.858 -173.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.706 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.1 mp -91.49 140.58 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.441 1.096 . . . . 0.0 110.62 170.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -99.26 -23.7 15.1 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.5 mm 73.58 129.74 0.04 OUTLIER Pre-proline 0 N--CA 1.488 1.436 0 C-N-CA 128.726 2.81 . . . . 0.0 112.46 174.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -77.27 170.12 20.1 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 124.022 3.148 . . . . 0.0 111.904 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -58.51 -23.24 57.61 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -57.39 -18.22 16.65 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.582 1.553 . . . . 0.0 113.593 173.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -74.36 -8.7 80.52 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.735 1.635 . . . . 0.0 115.63 173.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.1 p -52.86 137.44 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 CA-C-N 118.765 1.283 . . . . 0.0 111.898 176.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.8 m -144.53 160.68 40.73 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.222 1.409 . . . . 0.0 111.928 -172.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -76.28 175.4 52.77 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 124.351 0.977 . . . . 0.0 114.253 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -76.28 -4.72 15.42 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 124.315 3.343 . . . . 0.0 114.291 -174.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.3 m -65.4 -5.88 8.75 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -177.094 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 61.8 p -79.91 -9.35 59.67 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.337 1.455 . . . . 0.0 114.064 174.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.171 0 C-N-CA 124.997 1.284 . . . . 0.0 113.339 178.558 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo . . . . . 0 CA--C 1.54 0.824 0 N-CA-C 113.552 0.559 . . . . 0.0 113.552 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.6 m 72.58 157.74 0.19 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 127.288 2.235 . . . . 0.0 114.202 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 m -74.63 156.7 36.45 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.58 1.152 . . . . 0.0 113.479 -177.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.76 -5.79 73.31 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 124.974 1.273 . . . . 0.0 115.294 173.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 m 69.41 -12.39 0.43 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 127.238 2.215 . . . . 0.0 116.236 169.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t 72.72 -22.74 0.22 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 127.901 2.48 . . . . 0.0 115.406 172.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.94 158.63 47.37 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 125.382 1.468 . . . . 0.0 114.489 -177.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -77.81 152.73 33.35 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.236 1.014 . . . . 0.0 112.901 -175.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.3 mp -85.18 158.67 20.31 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.106 1.363 . . . . 0.0 111.365 177.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -68.08 135.68 52.59 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.443 1.097 . . . . 0.0 111.995 176.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -100.83 157.22 34.09 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 125.179 1.392 . . . . 0.0 113.41 -177.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -76.18 178.29 7.68 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 124.319 3.346 . . . . 0.0 112.746 -177.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.6 t -157.18 162.07 39.32 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 126.644 1.977 . . . . 0.0 110.254 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mt -95.61 -17.69 21.16 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.87 1.668 . . . . 0.0 111.367 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.0 mt -81.78 -177.83 6.72 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 122.929 1.347 . . . . 0.0 113.035 -175.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 m -102.6 159.36 29.58 Favored Pre-proline 0 CA--C 1.541 0.627 0 C-N-CA 126.931 2.093 . . . . 0.0 111.972 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -60.55 -25.26 80.32 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 124.129 3.22 . . . . 0.0 113.096 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -85.55 -11.18 54.72 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.517 1.127 . . . . 0.0 114.026 176.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -87.71 -51.66 5.75 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.832 1.253 . . . . 0.0 111.168 174.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.4 mt -60.86 -46.76 89.3 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.787 1.635 . . . . 0.0 110.786 -176.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -63.63 -38.51 91.4 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 172.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.32 -22.88 63.74 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.62 -27.57 64.82 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.933 0.788 . . . . 0.0 113.118 170.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.6 t -98.88 -55.7 2.64 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.078 0.951 . . . . 0.0 111.543 175.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -67.78 -13.89 62.5 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.887 1.675 . . . . 0.0 114.911 -174.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.33 -16.98 69.88 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.362 1.458 . . . . 0.0 114.429 176.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -144.32 -35.81 0.34 Allowed 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 170.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.3 9.89 72.11 Favored Glycine 0 CA--C 1.535 1.309 0 O-C-N 121.186 -0.946 . . . . 0.0 114.763 172.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.8 -176.6 3.42 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.506 1.522 . . . . 0.0 111.748 169.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -170.17 152.34 4.18 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.309 1.444 . . . . 0.0 112.417 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.69 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -153.4 157.37 39.86 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.925 1.69 . . . . 0.0 110.331 176.433 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -118.0 146.7 43.84 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 124.544 1.138 . . . . 0.0 109.737 172.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -135.91 156.37 48.88 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.745 1.218 . . . . 0.0 111.574 -178.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -136.89 148.25 46.94 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.507 1.523 . . . . 0.0 111.314 175.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -79.19 108.7 12.89 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 122.048 -0.407 . . . . 0.0 110.333 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -91.72 -150.4 25.47 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.282 1.42 . . . . 0.0 112.243 173.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -63.59 -43.89 95.62 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.946 0.898 . . . . 0.0 112.728 -178.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -111.42 -14.92 13.67 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 -169.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 162.17 -160.51 32.63 Favored Glycine 0 N--CA 1.473 1.148 0 C-N-CA 125.039 1.304 . . . . 0.0 113.293 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -67.74 130.81 44.16 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.915 0.886 . . . . 0.0 112.359 173.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -130.71 141.05 50.38 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.564 1.546 . . . . 0.0 110.113 176.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -82.37 138.69 34.41 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.458 0.703 . . . . 0.0 111.107 -171.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -66.77 153.67 42.73 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.659 0.784 . . . . 0.0 112.583 169.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -64.31 150.41 46.17 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.858 0.863 . . . . 0.0 111.74 172.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -64.98 -24.38 67.5 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -174.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -83.19 -16.47 46.46 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.456 0.702 . . . . 0.0 111.814 175.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.2 m -95.93 -51.56 4.41 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.564 1.545 . . . . 0.0 111.667 178.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.2 p -61.13 -30.52 70.43 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.472 -0.768 . . . . 0.0 113.05 -177.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -25.76 68.5 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 174.114 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -76.92 -40.01 48.74 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.532 0.605 . . . . 0.0 109.728 178.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.2 mt -65.68 -44.71 85.39 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.474 1.51 . . . . 0.0 110.668 176.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -62.31 -30.12 70.92 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.198 1.399 . . . . 0.0 112.77 175.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -81.82 -29.71 32.5 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.21 -0.931 . . . . 0.0 111.362 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.78 -45.74 73.99 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -173.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -70.84 -18.57 62.71 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.661 0.664 . . . . 0.0 111.966 174.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.7 t -83.11 -32.19 26.85 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.739 1.216 . . . . 0.0 112.395 175.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -73.23 -42.45 62.57 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.995 1.318 . . . . 0.0 111.754 174.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.35 -7.14 9.15 Favored Glycine 0 C--N 1.343 0.919 0 C-N-CA 124.946 1.26 . . . . 0.0 114.025 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -65.87 151.75 46.0 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.094 1.447 . . . . 0.0 112.626 174.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -95.85 -5.21 42.19 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.262 1.425 . . . . 0.0 113.283 -175.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -168.48 143.61 3.47 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.56 1.944 . . . . 0.0 109.71 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 t -132.0 172.1 12.77 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.144 0.977 . . . . 0.0 112.332 176.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -120.19 146.12 46.32 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 126.042 1.737 . . . . 0.0 111.262 -173.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.5 ptt? -152.05 147.83 26.97 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.872 1.269 . . . . 0.0 112.374 -173.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.77 142.75 33.38 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.79 1.636 . . . . 0.0 110.169 177.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.87 -151.87 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.075 1.35 . . . . 0.0 111.897 -179.414 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.23 -17.17 25.64 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 115.516 1.673 . . . . 0.0 115.516 178.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.56 15.7 0.03 OUTLIER Glycine 0 CA--C 1.534 1.241 0 N-CA-C 116.586 1.395 . . . . 0.0 116.586 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -149.9 152.86 35.74 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.79 1.295 . . . . 0.0 112.303 -169.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.52 124.5 37.56 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.633 1.173 . . . . 0.0 108.102 169.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -114.74 136.75 52.73 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.854 1.262 . . . . 0.0 111.294 171.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.2 t -90.34 122.25 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 170.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.42 109.48 21.66 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.53 1.132 . . . . 0.0 108.702 170.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -86.62 121.7 29.51 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.701 1.201 . . . . 0.0 109.943 174.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.4 mp -88.76 -13.32 39.8 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.017 1.327 . . . . 0.0 112.581 -173.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -86.32 -40.72 15.19 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.757 1.223 . . . . 0.0 112.355 -176.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -96.62 -11.72 24.89 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.819 1.648 . . . . 0.0 111.318 175.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 54.82 67.47 1.01 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.775 2.03 . . . . 0.0 111.361 -172.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.6 m -142.89 165.99 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.935 0.894 . . . . 0.0 112.316 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -121.66 149.77 42.72 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.343 1.457 . . . . 0.0 111.245 170.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -164.63 161.03 20.68 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.018 1.727 . . . . 0.0 112.438 175.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -70.61 150.88 45.58 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 121.067 -1.02 . . . . 0.0 110.384 169.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.0 mtp-105 -55.33 -24.7 30.36 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 -171.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -98.17 -2.07 40.72 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 126.292 1.837 . . . . 0.0 114.821 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -124.0 156.16 36.95 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.538 1.535 . . . . 0.0 112.718 -168.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -150.62 -30.75 0.19 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.032 1.333 . . . . 0.0 113.632 176.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.61 -10.93 83.06 Favored Glycine 0 N--CA 1.475 1.266 0 O-C-N 120.895 -1.128 . . . . 0.0 114.9 -173.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -121.32 15.92 11.37 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.181 1.792 . . . . 0.0 112.234 -178.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 35.3 ptt-85 -51.15 146.16 6.89 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.236 1.814 . . . . 0.0 113.296 176.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -113.33 140.67 47.83 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.318 1.447 . . . . 0.0 110.516 176.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -65.52 142.22 58.2 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.513 1.125 . . . . 0.0 113.155 177.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.5 pt -124.71 169.1 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.071 1.348 . . . . 0.0 110.614 169.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.9 pttt -155.82 165.73 35.63 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.274 1.43 . . . . 0.0 112.946 174.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.1 mtp-105 -99.98 152.06 20.62 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.005 1.322 . . . . 0.0 109.288 165.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -152.3 178.33 9.63 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.273 1.429 . . . . 0.0 111.37 173.123 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.0 mm -130.5 139.15 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 125.331 1.452 . . . . 0.0 110.363 -174.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.69 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.0 mp -92.98 140.97 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.079 0.952 . . . . 0.0 110.524 171.472 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -105.86 -18.94 13.89 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.4 mm 76.52 127.57 0.03 OUTLIER Pre-proline 0 N--CA 1.486 1.357 0 C-N-CA 129.192 2.997 . . . . 0.0 111.843 176.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -77.89 169.62 20.3 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 123.883 3.055 . . . . 0.0 111.778 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -58.1 -29.55 65.57 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 176.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -59.36 -21.22 59.52 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.257 1.423 . . . . 0.0 113.72 174.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -83.93 -8.8 83.63 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.597 1.57 . . . . 0.0 114.998 174.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 44.4 t -95.0 127.62 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.433 1.493 . . . . 0.0 109.085 178.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 87.8 p -164.48 172.67 13.03 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.989 1.315 . . . . 0.0 112.351 -174.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 98.41 175.22 32.78 Favored Glycine 0 CA--C 1.54 1.648 0 C-N-CA 125.229 1.395 . . . . 0.0 113.849 -178.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -75.14 155.83 42.29 Favored 'Trans proline' 0 CA--C 1.536 0.576 0 C-N-CA 124.133 3.222 . . . . 0.0 112.06 -176.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 58.6 p -161.79 -89.43 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.721 1.208 . . . . 0.0 111.375 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 77.2 p -168.85 -26.47 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.838 1.655 . . . . 0.0 114.146 -177.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.22 0 CA-C-O 118.267 -1.296 . . . . 0.0 113.054 178.962 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo . . . . . 0 CA--C 1.541 0.861 0 N-CA-C 113.156 0.406 . . . . 0.0 113.156 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 m -66.05 -16.88 64.31 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 p -86.28 -1.34 57.4 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.299 1.84 . . . . 0.0 113.743 172.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.84 161.67 11.14 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 126.404 1.954 . . . . 0.0 113.028 -175.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.3 m -146.38 150.53 35.86 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.636 1.574 . . . . 0.0 110.987 -176.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.7 p -162.83 165.28 25.5 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.829 1.252 . . . . 0.0 112.154 -179.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.9 162.6 30.13 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.246 1.403 . . . . 0.0 113.06 177.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -104.87 162.54 13.24 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.515 1.526 . . . . 0.0 112.815 -177.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.4 tp -157.58 145.85 19.15 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.478 1.911 . . . . 0.0 109.717 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -151.55 168.71 24.06 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.952 1.301 . . . . 0.0 112.037 -176.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -89.88 161.95 37.04 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 126.769 2.027 . . . . 0.0 113.648 -175.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -72.35 177.01 7.84 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 123.964 3.109 . . . . 0.0 112.377 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.4 t -155.11 164.66 38.55 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.615 1.566 . . . . 0.0 112.174 -173.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mp -109.68 -3.14 17.0 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.464 1.906 . . . . 0.0 111.805 -177.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.3 mt -86.91 -177.25 6.03 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.065 1.346 . . . . 0.0 112.521 -176.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 m -95.74 158.34 34.51 Favored Pre-proline 0 CA--C 1.538 0.494 0 C-N-CA 126.236 1.815 . . . . 0.0 111.711 175.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -57.69 -30.37 88.71 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 123.263 2.642 . . . . 0.0 112.074 174.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -78.37 -12.79 60.03 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.745 1.218 . . . . 0.0 113.474 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -88.19 -50.99 6.02 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 125.145 1.378 . . . . 0.0 110.525 174.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 mt -63.04 -49.11 75.88 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.08 1.352 . . . . 0.0 110.684 -177.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -65.65 -11.93 49.02 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.139 1.162 . . . . 0.0 114.139 175.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.32 -54.24 3.89 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.294 1.037 . . . . 0.0 112.068 171.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.34 -43.69 12.68 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.217 1.007 . . . . 0.0 113.64 -172.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.3 t -78.71 -25.42 44.7 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.685 0.794 . . . . 0.0 112.395 -177.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -69.28 -26.28 64.67 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.974 0.91 . . . . 0.0 112.009 169.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.52 -65.32 1.79 Allowed Glycine 0 CA--C 1.529 0.91 0 C-N-CA 125.424 1.488 . . . . 0.0 111.507 173.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -159.08 -24.69 0.07 Allowed 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.12 -3.25 60.08 Favored Glycine 0 N--CA 1.475 1.246 0 C-N-CA 125.42 1.486 . . . . 0.0 114.14 -178.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.71 178.42 7.03 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.163 1.385 . . . . 0.0 111.862 169.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -171.39 152.13 3.22 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.807 1.643 . . . . 0.0 112.755 178.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.701 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -154.92 146.29 22.99 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.26 1.424 . . . . 0.0 112.112 179.069 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.1 m95 -92.05 146.67 23.54 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.443 1.097 . . . . 0.0 112.043 173.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -138.22 157.45 46.25 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.737 1.615 . . . . 0.0 112.258 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -138.78 149.49 45.05 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.014 1.725 . . . . 0.0 111.159 174.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -78.87 118.68 21.13 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.461 0.573 . . . . 0.0 110.662 171.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.99 -154.6 27.77 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 125.203 1.382 . . . . 0.0 111.334 169.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -64.08 -42.83 96.83 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.206 1.002 . . . . 0.0 113.155 -178.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -106.6 -7.26 17.49 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 -170.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 151.69 -162.16 29.54 Favored Glycine 0 N--CA 1.473 1.121 0 C-N-CA 125.245 1.403 . . . . 0.0 113.165 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -70.56 133.36 46.67 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.946 0.899 . . . . 0.0 111.888 173.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.8 m95 -132.3 141.44 48.98 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.562 1.545 . . . . 0.0 110.75 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -80.43 140.54 35.94 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.652 0.781 . . . . 0.0 110.859 -174.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -70.21 156.65 38.94 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 173.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -76.23 156.11 33.84 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.975 0.91 . . . . 0.0 110.953 170.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -68.54 -19.59 64.51 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.419 1.087 . . . . 0.0 113.792 -177.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -67.49 -33.52 75.28 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.81 0.844 . . . . 0.0 111.734 170.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.6 m -95.33 -52.0 4.35 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 127.169 2.188 . . . . 0.0 112.454 -171.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.3 p -61.07 -27.97 68.74 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.099 0.863 . . . . 0.0 113.168 -176.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -29.23 68.0 Favored 'General case' 0 C--N 1.345 0.386 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 173.147 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -72.6 -32.95 66.37 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.859 0.754 . . . . 0.0 110.693 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 39.0 mt -81.97 -44.49 16.65 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.703 1.601 . . . . 0.0 111.437 -172.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -67.39 -24.5 65.68 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 175.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -83.12 -36.24 24.96 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.459 1.104 . . . . 0.0 111.089 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.39 82.03 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.841 1.257 . . . . 0.0 113.993 -176.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -68.88 -21.49 64.24 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.957 0.799 . . . . 0.0 112.416 175.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.2 t -80.44 -29.76 37.58 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.617 1.167 . . . . 0.0 112.538 175.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -76.83 -41.9 42.43 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.925 1.29 . . . . 0.0 111.96 175.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 122.92 -7.47 9.37 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 125.097 1.332 . . . . 0.0 114.064 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -65.68 151.29 46.88 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.947 1.373 . . . . 0.0 112.322 172.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.6 pttp -99.11 0.26 43.19 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.953 1.301 . . . . 0.0 113.483 -177.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -171.39 153.42 3.56 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.686 1.995 . . . . 0.0 109.915 177.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.5 t -147.03 172.4 13.79 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.548 1.539 . . . . 0.0 111.271 -172.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -121.31 148.34 44.46 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.21 1.404 . . . . 0.0 111.821 -171.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -153.95 147.45 25.05 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.184 1.394 . . . . 0.0 112.02 -174.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.31 142.56 33.99 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.811 1.644 . . . . 0.0 109.929 176.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -121.67 -153.25 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.688 1.195 . . . . 0.0 111.87 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.87 -15.81 14.39 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 115.577 1.695 . . . . 0.0 115.577 177.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.85 16.36 0.03 OUTLIER Glycine 0 CA--C 1.534 1.232 0 N-CA-C 116.922 1.529 . . . . 0.0 116.922 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -149.77 152.52 35.37 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.746 1.273 . . . . 0.0 111.991 -169.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.96 124.86 38.24 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 169.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -117.8 139.17 51.45 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.621 1.168 . . . . 0.0 111.585 172.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.2 t -94.02 119.44 41.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 126.467 1.907 . . . . 0.0 107.075 173.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.73 126.08 39.81 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.103 1.361 . . . . 0.0 109.772 174.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -108.53 111.75 23.76 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.338 1.855 . . . . 0.0 110.234 -169.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 31.6 mt -78.19 -17.49 56.71 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.8 1.24 . . . . 0.0 113.222 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -71.97 -51.68 20.79 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.969 0.908 . . . . 0.0 111.867 -178.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -102.6 -10.16 19.51 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.45 1.9 . . . . 0.0 112.023 -175.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 57.01 64.89 1.52 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.828 2.051 . . . . 0.0 111.479 -174.222 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.0 m -143.43 176.1 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 126.418 1.887 . . . . 0.0 110.622 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.463 ' NE2' HN61 ' A' ' 201' ' ' ATP . 3.1 pp0? -149.34 147.49 28.39 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.295 1.038 . . . . 0.0 112.104 173.347 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -158.33 165.16 35.43 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.322 1.849 . . . . 0.0 112.976 -169.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -71.57 148.13 46.95 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 120.757 -1.214 . . . . 0.0 111.857 170.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -50.63 -33.84 23.91 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.528 1.131 . . . . 0.0 113.627 174.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -88.64 -12.06 43.62 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -172.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -159.4 111.69 2.14 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 122.437 1.113 . . . . 0.0 112.067 -173.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.6 p-80 -84.66 -18.02 36.7 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.817 1.247 . . . . 0.0 113.517 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.21 -12.75 72.65 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 125.203 1.382 . . . . 0.0 114.476 -178.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -94.6 9.59 38.08 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.646 1.578 . . . . 0.0 113.517 174.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -56.49 142.82 37.49 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -173.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -123.13 145.59 48.46 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.466 1.906 . . . . 0.0 109.97 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -65.04 146.2 55.33 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.729 1.212 . . . . 0.0 114.076 -178.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 14.3 pt -129.12 163.83 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.162 1.385 . . . . 0.0 110.526 168.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 48.2 pttt -155.46 171.61 19.62 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.234 1.414 . . . . 0.0 112.269 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 58.2 mtm180 -115.51 142.29 46.92 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.05 1.34 . . . . 0.0 109.05 167.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -138.47 -179.14 5.63 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.225 1.81 . . . . 0.0 111.019 -179.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.7 mm -128.26 137.36 57.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.857 1.263 . . . . 0.0 110.851 -172.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.701 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.0 mp -90.78 140.01 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 124.346 1.058 . . . . 0.0 110.465 170.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -101.93 -22.81 14.24 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 23.0 mm 73.51 127.32 0.03 OUTLIER Pre-proline 0 N--CA 1.487 1.38 0 C-N-CA 128.8 2.84 . . . . 0.0 112.127 177.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -78.37 164.59 26.34 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.911 3.074 . . . . 0.0 111.768 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -60.49 -29.44 69.08 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 174.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -58.6 -21.35 53.09 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.709 1.604 . . . . 0.0 113.574 173.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -84.17 -8.79 83.25 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.449 1.499 . . . . 0.0 115.191 175.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 48.8 t -85.54 104.64 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 CA-C-N 118.515 1.157 . . . . 0.0 109.105 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 62.0 m -155.36 154.03 31.38 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.097 1.759 . . . . 0.0 110.946 -173.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -75.54 153.12 43.93 Favored Glycine 0 CA--C 1.542 1.766 0 CA-C-O 119.048 -0.862 . . . . 0.0 112.76 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -75.94 159.12 38.2 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 123.843 3.029 . . . . 0.0 111.798 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 54.4 p -83.68 -2.75 56.86 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.751 1.22 . . . . 0.0 114.163 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.0 t -163.99 164.94 22.99 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 126.149 1.78 . . . . 0.0 111.283 -177.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.208 0 C-N-CA 125.187 1.375 . . . . 0.0 112.885 -178.307 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ATP . . . . . 0.463 HN61 ' NE2' ' A' ' 80' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo . . . . . 0 CA--C 1.54 0.783 0 N-CA-C 113.409 0.504 . . . . 0.0 113.409 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -81.25 -16.68 51.91 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -176.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.1 m 65.84 3.25 2.47 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 126.919 2.088 . . . . 0.0 115.327 174.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.13 -159.88 25.01 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 126.166 1.841 . . . . 0.0 112.815 -177.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.4 m -143.7 152.29 41.13 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.094 1.358 . . . . 0.0 111.292 -175.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.5 p -83.07 0.6 44.22 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 -177.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.03 171.28 55.05 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.996 1.284 . . . . 0.0 113.903 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -74.39 176.13 7.04 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.199 1.4 . . . . 0.0 112.586 175.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.7 tp -146.39 139.84 25.9 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.606 1.563 . . . . 0.0 109.986 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -149.43 167.51 26.0 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.574 1.95 . . . . 0.0 110.904 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -122.41 158.46 56.0 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 125.762 1.625 . . . . 0.0 112.775 -177.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -70.36 172.91 12.32 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 124.195 3.264 . . . . 0.0 113.095 -172.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.409 HG21 HD11 ' A' ' 20' ' ' LEU . 15.1 t -168.79 174.47 6.53 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 126.972 2.109 . . . . 0.0 110.185 -168.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mt -102.76 -17.71 15.47 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.281 1.832 . . . . 0.0 111.604 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.7 mt -76.49 178.62 6.47 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 122.962 1.363 . . . . 0.0 113.085 -178.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.0 m -88.06 155.68 52.25 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 126.499 1.92 . . . . 0.0 111.78 175.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -61.94 -21.25 71.95 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 123.914 3.076 . . . . 0.0 113.039 177.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -80.97 -32.77 34.26 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.315 1.046 . . . . 0.0 112.241 177.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -68.18 -48.8 64.29 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.918 1.287 . . . . 0.0 111.626 -176.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.409 HD11 HG21 ' A' ' 13' ' ' THR . 3.0 mt -65.17 -46.53 80.47 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.811 1.644 . . . . 0.0 110.113 -177.229 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -61.34 -40.42 94.18 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.541 0.736 . . . . 0.0 112.193 173.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.32 -42.16 84.08 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.604 1.093 . . . . 0.0 112.515 176.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.21 -38.71 90.21 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.289 1.036 . . . . 0.0 112.602 176.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -76.42 -55.5 5.48 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.577 0.751 . . . . 0.0 112.268 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -66.13 -26.52 67.48 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.091 1.356 . . . . 0.0 113.485 -175.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.65 -15.89 64.83 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 124.937 1.256 . . . . 0.0 114.315 176.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -122.11 -65.09 1.15 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.167 1.387 . . . . 0.0 112.264 173.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.93 -1.15 70.41 Favored Glycine 0 N--CA 1.476 1.321 0 C-N-CA 124.541 1.067 . . . . 0.0 112.971 -173.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -69.1 176.14 3.39 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.657 1.983 . . . . 0.0 112.098 169.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -170.58 151.74 3.68 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.624 1.569 . . . . 0.0 112.934 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.661 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -150.77 159.32 44.61 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.548 1.539 . . . . 0.0 110.998 176.27 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 45.3 m95 -123.51 146.75 47.84 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 124.948 1.299 . . . . 0.0 109.865 170.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -134.87 158.3 44.6 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.808 1.243 . . . . 0.0 111.651 -178.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -139.48 153.07 47.45 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.117 1.767 . . . . 0.0 110.646 176.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -78.92 108.05 12.1 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.418 0.554 . . . . 0.0 110.618 171.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.51 -154.36 30.94 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 125.937 1.732 . . . . 0.0 112.779 175.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -55.37 -48.05 74.88 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.002 1.321 . . . . 0.0 112.918 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -114.54 -11.48 12.41 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -169.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 161.02 -160.93 32.49 Favored Glycine 0 N--CA 1.473 1.13 0 C-N-CA 124.922 1.249 . . . . 0.0 113.238 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -66.63 127.52 32.72 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.897 0.879 . . . . 0.0 112.205 174.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -130.35 143.53 50.83 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.989 1.316 . . . . 0.0 110.864 175.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -80.79 138.87 36.27 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.381 0.672 . . . . 0.0 110.846 -175.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -67.0 156.78 35.1 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.43 0.692 . . . . 0.0 112.71 170.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -71.59 156.07 39.82 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.281 0.633 . . . . 0.0 110.967 171.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.72 -20.06 65.21 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.326 1.05 . . . . 0.0 113.685 -176.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -67.05 -35.33 79.63 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.808 0.843 . . . . 0.0 111.602 170.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.9 m -94.81 -49.59 5.52 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 126.795 2.038 . . . . 0.0 112.514 -170.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 94.3 p -63.3 -27.41 69.31 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 -175.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -29.63 70.79 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.927 -0.483 . . . . 0.0 112.256 173.021 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.35 -37.23 74.6 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.204 0.911 . . . . 0.0 110.042 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.8 mt -71.43 -45.29 63.07 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.821 1.648 . . . . 0.0 110.834 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -60.84 -39.4 88.94 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.58 1.152 . . . . 0.0 112.532 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -73.91 -36.91 64.77 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 121.672 0.749 . . . . 0.0 110.368 -174.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.09 -50.28 72.55 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.675 1.59 . . . . 0.0 114.124 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -70.2 -18.15 63.17 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.965 0.802 . . . . 0.0 111.968 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.3 t -84.1 -30.21 26.15 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.035 1.334 . . . . 0.0 112.716 175.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -74.57 -43.35 56.12 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.115 1.366 . . . . 0.0 111.539 175.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.49 -7.28 8.48 Favored Glycine 0 C--N 1.34 0.793 0 C-N-CA 124.757 1.17 . . . . 0.0 114.274 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -65.26 150.9 47.44 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.113 1.457 . . . . 0.0 112.172 173.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -98.46 -1.76 40.59 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.084 1.354 . . . . 0.0 113.067 -174.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -169.55 146.89 3.45 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.498 1.919 . . . . 0.0 109.974 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 t -137.57 179.24 6.53 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.74 1.216 . . . . 0.0 112.091 178.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -124.19 149.7 46.06 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.725 1.61 . . . . 0.0 112.187 -172.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.3 ptt? -157.17 148.62 22.13 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.16 1.384 . . . . 0.0 112.434 -174.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.09 144.54 31.16 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.086 1.754 . . . . 0.0 110.147 177.213 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.84 -151.71 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.851 1.26 . . . . 0.0 112.196 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.58 -17.48 22.17 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.95 17.18 0.03 OUTLIER Glycine 0 CA--C 1.532 1.121 0 N-CA-C 116.633 1.413 . . . . 0.0 116.633 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -149.69 150.98 32.93 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.779 1.289 . . . . 0.0 112.221 -170.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.15 124.57 35.47 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 168.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -114.3 134.38 54.99 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.52 1.128 . . . . 0.0 111.617 171.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 32.3 t -87.1 116.71 29.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 169.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.85 112.31 23.1 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.699 1.2 . . . . 0.0 108.913 173.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -87.65 111.57 21.42 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.184 1.394 . . . . 0.0 110.152 177.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.8 mp -81.41 -18.74 44.37 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.521 1.128 . . . . 0.0 111.74 -178.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -62.71 -52.73 62.11 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.872 0.869 . . . . 0.0 112.435 176.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -103.68 -5.12 22.9 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.355 1.462 . . . . 0.0 112.313 -174.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.4 mmt 56.34 59.09 3.82 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.151 1.78 . . . . 0.0 111.006 -171.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.43 176.09 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 124.708 1.203 . . . . 0.0 110.431 174.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.51 158.78 43.39 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 124.626 1.17 . . . . 0.0 110.737 171.229 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -166.67 165.06 16.75 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.953 1.701 . . . . 0.0 112.514 -175.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 -71.57 153.29 42.25 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.062 -1.024 . . . . 0.0 111.793 173.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 62.3 mtp85 -58.33 -23.11 55.62 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 171.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -67.16 -34.6 77.89 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.745 1.218 . . . . 0.0 113.687 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -168.1 141.65 3.27 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.096 1.358 . . . . 0.0 112.167 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -76.5 -11.44 59.88 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.742 1.217 . . . . 0.0 113.658 169.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -54.59 -63.21 5.42 Favored Glycine 0 N--CA 1.471 1.022 0 C-N-CA 126.928 2.204 . . . . 0.0 112.369 -176.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.59 95.33 4.53 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.019 0.91 . . . . 0.0 108.89 168.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.9 ptt-85 -118.56 156.6 28.87 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.406 1.482 . . . . 0.0 112.067 172.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -134.88 141.21 46.28 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 126.243 1.817 . . . . 0.0 109.355 -176.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -67.94 141.43 56.33 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.7 pt -124.87 170.52 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.539 1.536 . . . . 0.0 109.991 169.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 43.6 pttt -155.23 165.58 36.21 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.707 1.203 . . . . 0.0 112.932 173.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -102.97 149.09 24.88 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.715 2.006 . . . . 0.0 109.547 168.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -152.83 177.95 10.18 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.657 1.183 . . . . 0.0 112.237 176.157 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.3 mm -131.25 137.84 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 126.182 1.793 . . . . 0.0 109.382 -178.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.661 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.4 mp -87.05 143.65 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 123.722 0.809 . . . . 0.0 110.519 174.566 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -95.24 -29.32 14.57 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 23.5 mm 73.64 127.33 0.03 OUTLIER Pre-proline 0 N--CA 1.484 1.257 0 C-N-CA 128.871 2.868 . . . . 0.0 112.109 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -77.43 163.4 29.85 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.832 3.021 . . . . 0.0 111.635 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -59.51 -32.88 70.69 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 176.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -59.62 -22.63 62.11 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.531 1.532 . . . . 0.0 113.478 174.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.84 -8.74 79.09 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.638 1.589 . . . . 0.0 115.205 176.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 55.3 t -85.98 111.71 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 118.532 1.166 . . . . 0.0 109.41 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.3 m -166.22 153.0 9.39 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 127.19 2.196 . . . . 0.0 110.416 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -78.79 152.88 37.6 Favored Glycine 0 CA--C 1.542 1.761 0 CA-C-O 119.02 -0.878 . . . . 0.0 112.76 176.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -75.98 156.4 38.67 Favored 'Trans proline' 0 CA--C 1.535 0.56 0 C-N-CA 123.853 3.035 . . . . 0.0 111.571 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.7 m -67.37 -9.53 42.29 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.2 m -77.93 -8.17 57.76 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.396 1.478 . . . . 0.0 114.146 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.125 0 CA-C-O 118.222 -1.321 . . . . 0.0 113.337 179.811 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo . . . . . 0 CA--C 1.539 0.766 0 N-CA-C 113.465 0.525 . . . . 0.0 113.465 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -163.21 169.01 19.89 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.517 1.527 . . . . 0.0 111.061 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -167.5 152.67 7.16 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.926 2.09 . . . . 0.0 111.124 -178.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.84 173.68 50.93 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.481 1.039 . . . . 0.0 113.245 175.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.8 m -86.87 115.68 24.45 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.72 0.808 . . . . 0.0 110.815 176.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.2 p -91.94 -4.4 54.7 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -173.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.49 168.99 27.8 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 125.524 1.535 . . . . 0.0 113.647 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -76.2 159.16 30.92 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.695 1.198 . . . . 0.0 112.513 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.6 tp -155.98 155.71 33.23 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.848 1.659 . . . . 0.0 110.57 -176.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -134.0 156.61 47.88 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.955 1.702 . . . . 0.0 111.629 -178.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -131.88 159.48 71.84 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 126.543 1.937 . . . . 0.0 111.726 -179.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -70.73 171.0 16.37 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.892 3.061 . . . . 0.0 112.724 -173.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.3 t -169.02 169.76 9.33 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 126.978 2.111 . . . . 0.0 110.447 -169.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 mt -99.04 -16.13 18.79 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.327 1.851 . . . . 0.0 111.566 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.5 mt -82.31 179.35 7.83 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 122.981 1.372 . . . . 0.0 113.359 -175.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.8 m -89.34 155.8 48.72 Favored Pre-proline 0 CA--C 1.541 0.603 0 C-N-CA 126.817 2.047 . . . . 0.0 112.229 176.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -63.62 -16.55 55.34 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 124.21 3.273 . . . . 0.0 113.483 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -87.67 -30.35 20.47 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.503 1.121 . . . . 0.0 112.362 176.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -68.5 -48.65 63.85 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.866 1.267 . . . . 0.0 111.609 -176.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mt -64.45 -45.56 86.93 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.833 1.653 . . . . 0.0 109.895 -177.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.89 -42.16 98.74 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.397 1.079 . . . . 0.0 111.849 173.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.45 -40.9 85.4 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.108 0.867 . . . . 0.0 112.492 177.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.1 -42.6 99.63 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.278 1.031 . . . . 0.0 112.201 175.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.3 t -70.45 -43.03 70.69 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.591 0.757 . . . . 0.0 112.6 178.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -73.06 -26.36 61.26 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.509 1.123 . . . . 0.0 113.399 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.97 -28.47 73.55 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 124.936 1.255 . . . . 0.0 114.931 -172.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -157.07 -36.43 0.08 Allowed 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 171.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.28 5.9 65.12 Favored Glycine 0 N--CA 1.478 1.448 0 C-N-CA 124.381 0.991 . . . . 0.0 114.886 176.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.25 -177.13 5.53 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.306 1.442 . . . . 0.0 111.55 169.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.0 p90 -171.18 152.03 3.32 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.634 1.574 . . . . 0.0 112.172 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.693 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -152.94 155.17 36.48 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.503 1.521 . . . . 0.0 110.872 176.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 27.5 m95 -117.97 145.97 44.33 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.806 1.243 . . . . 0.0 109.493 173.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -134.22 154.89 50.99 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.208 1.403 . . . . 0.0 111.398 -175.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -136.34 150.13 48.7 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.876 1.671 . . . . 0.0 110.968 177.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -74.6 117.45 16.45 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.574 0.624 . . . . 0.0 110.937 172.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.13 -159.56 33.35 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 125.501 1.524 . . . . 0.0 112.155 169.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -67.17 -28.85 68.45 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.207 1.003 . . . . 0.0 113.573 -178.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -134.45 -3.13 2.7 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 117.533 2.419 . . . . 0.0 117.533 -168.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.72 -171.15 43.93 Favored Glycine 0 N--CA 1.471 1.029 0 C-N-CA 125.43 1.49 . . . . 0.0 114.062 173.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -76.62 130.31 37.64 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.882 0.873 . . . . 0.0 110.923 169.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 69.7 m95 -130.12 145.23 51.68 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.99 1.316 . . . . 0.0 111.016 -177.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -84.23 139.94 32.02 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.281 0.632 . . . . 0.0 112.178 -169.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -68.8 156.48 38.29 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.97 0.908 . . . . 0.0 112.305 168.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -62.98 154.42 30.62 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.603 1.161 . . . . 0.0 112.447 175.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -66.86 -20.98 66.02 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.758 1.223 . . . . 0.0 113.183 -176.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 -94.27 -12.09 28.83 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.303 1.041 . . . . 0.0 112.223 176.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.0 m -97.0 -54.02 3.32 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.284 1.433 . . . . 0.0 111.255 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.4 p -59.03 -30.6 68.14 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -178.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -24.58 67.79 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.958 0.903 . . . . 0.0 113.077 174.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -80.11 -39.08 30.31 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.876 0.762 . . . . 0.0 110.253 177.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.0 mt -64.6 -43.69 93.01 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.05 1.34 . . . . 0.0 110.884 175.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -61.45 -28.23 69.13 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.061 1.344 . . . . 0.0 112.911 174.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -83.77 -30.39 26.67 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.032 -1.043 . . . . 0.0 112.313 -178.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.91 79.44 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.701 1.2 . . . . 0.0 113.973 -175.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -68.32 -24.6 64.85 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.82 0.736 . . . . 0.0 111.499 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.8 t -78.37 -29.29 47.34 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.957 1.303 . . . . 0.0 112.579 177.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -73.52 -42.44 61.75 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.716 1.206 . . . . 0.0 111.264 169.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.48 -7.73 7.91 Favored Glycine 0 C--N 1.341 0.843 0 C-N-CA 125.502 1.525 . . . . 0.0 114.192 176.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -63.85 155.9 29.11 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.242 1.521 . . . . 0.0 112.808 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -101.5 -2.07 31.57 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.169 1.388 . . . . 0.0 113.364 -176.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -169.22 141.17 2.5 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.886 2.074 . . . . 0.0 109.746 176.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.1 t -130.43 -178.23 4.68 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.914 1.285 . . . . 0.0 111.847 178.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -129.23 145.85 51.26 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 125.66 1.584 . . . . 0.0 111.594 -171.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.4 ptt? -151.51 148.33 27.91 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.093 1.357 . . . . 0.0 112.184 -174.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.55 142.41 34.34 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.806 1.642 . . . . 0.0 110.035 178.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.4 -152.96 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 125.034 1.333 . . . . 0.0 111.862 -179.595 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.46 -15.82 19.88 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 115.648 1.722 . . . . 0.0 115.648 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.7 15.28 0.03 OUTLIER Glycine 0 CA--C 1.534 1.249 0 N-CA-C 116.694 1.438 . . . . 0.0 116.694 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -150.03 153.28 36.23 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.781 1.291 . . . . 0.0 112.007 -169.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.58 124.5 37.62 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.521 1.128 . . . . 0.0 108.076 169.46 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -113.99 131.79 56.21 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.644 1.178 . . . . 0.0 111.341 170.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.0 t -85.74 116.17 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 125.832 1.653 . . . . 0.0 106.99 173.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.3 109.77 20.86 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.79 1.236 . . . . 0.0 109.038 174.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -86.86 114.58 23.63 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.308 1.443 . . . . 0.0 110.357 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.4 mp -83.44 -18.32 39.06 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.917 1.287 . . . . 0.0 112.095 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -65.96 -53.12 43.09 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.023 0.829 . . . . 0.0 112.021 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -101.79 -8.84 21.33 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.828 1.651 . . . . 0.0 111.991 -174.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 56.71 65.32 1.43 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.475 1.91 . . . . 0.0 110.725 -173.391 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.3 m -138.55 172.59 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 125.829 1.652 . . . . 0.0 110.494 175.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.1 141.26 29.92 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.798 0.839 . . . . 0.0 111.92 175.351 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -151.85 160.26 43.6 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.426 1.49 . . . . 0.0 113.868 -174.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -71.44 143.02 50.23 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.9 0.88 . . . . 0.0 111.236 173.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 72.9 mtp85 -52.12 -26.98 12.56 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -66.11 -30.88 71.46 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -177.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -166.27 124.12 1.43 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.141 0.976 . . . . 0.0 112.259 -172.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -68.78 -15.77 63.6 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -73.52 -22.33 78.62 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 125.504 1.526 . . . . 0.0 113.953 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -87.73 62.78 7.17 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.016 1.326 . . . . 0.0 110.324 174.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.3 ptt-85 -112.94 149.62 32.96 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.954 1.302 . . . . 0.0 114.456 -171.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -130.1 143.14 50.62 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.016 2.126 . . . . 0.0 109.869 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt -65.95 142.54 57.83 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.285 1.034 . . . . 0.0 113.203 179.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.3 pt -130.12 166.87 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.089 1.356 . . . . 0.0 111.479 170.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -156.45 165.34 36.59 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.485 1.514 . . . . 0.0 112.613 177.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.6 mtp-105 -102.5 152.62 20.93 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.458 1.503 . . . . 0.0 111.267 169.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.2 -179.24 7.35 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.431 1.492 . . . . 0.0 111.876 171.117 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.0 mm -128.23 140.5 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 126.417 1.887 . . . . 0.0 110.151 -177.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.693 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.1 mp -92.11 140.6 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 123.89 0.876 . . . . 0.0 110.393 171.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -106.8 -17.54 14.18 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.0 mm 76.44 127.18 0.03 OUTLIER Pre-proline 0 N--CA 1.485 1.324 0 C-N-CA 129.24 3.016 . . . . 0.0 111.886 176.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -78.09 169.01 21.07 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 123.958 3.106 . . . . 0.0 111.733 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -58.83 -34.52 71.64 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -60.86 -24.71 66.12 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.986 1.314 . . . . 0.0 113.233 173.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -86.25 -8.03 78.9 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 126.298 1.904 . . . . 0.0 115.0 174.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.7 t -131.31 65.92 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 126.332 1.853 . . . . 0.0 108.452 -178.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.6 t -165.83 157.21 13.91 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.282 1.833 . . . . 0.0 110.679 -175.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.52 65.19 2.49 Favored Glycine 0 CA--C 1.539 1.56 0 CA-C-O 118.406 -1.219 . . . . 0.0 113.03 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -71.49 158.61 53.52 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.884 3.056 . . . . 0.0 112.119 -176.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.1 p -73.21 -2.91 23.67 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.718 1.207 . . . . 0.0 114.213 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 52.3 p -82.22 -6.78 59.45 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.601 1.561 . . . . 0.0 114.089 175.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.25 0 CA-C-O 118.233 -1.315 . . . . 0.0 113.297 178.196 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo . . . . . 0 N--CA 1.48 0.723 0 N-CA-C 113.34 0.477 . . . . 0.0 113.34 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 p -82.27 -10.23 59.19 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -162.11 -46.99 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.326 1.45 . . . . 0.0 112.571 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.46 10.64 66.93 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.73 1.157 . . . . 0.0 114.488 177.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 p -167.93 168.78 11.88 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.75 1.62 . . . . 0.0 111.723 -169.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 m -163.08 160.63 24.64 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.207 1.803 . . . . 0.0 111.02 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.4 -172.39 36.14 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.729 1.157 . . . . 0.0 113.594 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -74.96 153.92 38.34 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.42 1.088 . . . . 0.0 112.747 -176.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.3 tp -157.34 143.58 17.84 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.191 1.796 . . . . 0.0 109.986 -178.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -143.61 141.89 30.81 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.62 1.568 . . . . 0.0 111.337 -176.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -76.12 158.13 82.41 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 124.99 1.316 . . . . 0.0 113.419 177.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -74.28 172.14 16.64 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 124.007 3.138 . . . . 0.0 112.561 -177.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.3 t -170.01 168.81 8.38 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 127.256 2.222 . . . . 0.0 110.248 -172.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mt -98.01 -18.31 18.66 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.238 1.815 . . . . 0.0 111.376 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.4 mt -83.51 -176.81 6.49 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 122.801 1.286 . . . . 0.0 113.118 -175.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.1 m -101.29 158.56 31.55 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 127.002 2.121 . . . . 0.0 112.094 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -61.48 -23.37 76.55 Favored 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 124.242 3.294 . . . . 0.0 113.26 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -87.73 -11.57 47.81 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.531 1.132 . . . . 0.0 113.902 176.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -86.57 -51.37 6.2 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.674 1.19 . . . . 0.0 111.114 175.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.25 -46.97 88.19 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.979 1.712 . . . . 0.0 110.666 -176.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -62.87 -38.92 92.78 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.101 173.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.19 -35.26 73.83 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.099 0.863 . . . . 0.0 113.063 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.75 -29.24 69.27 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.151 0.98 . . . . 0.0 113.065 174.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.7 t -89.25 -60.32 1.98 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.985 0.914 . . . . 0.0 111.825 177.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -72.77 -17.68 61.56 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.536 1.534 . . . . 0.0 114.583 -172.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.54 -19.86 76.67 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 124.502 1.048 . . . . 0.0 113.141 172.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -107.39 -64.41 1.2 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.136 1.375 . . . . 0.0 111.517 169.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.52 0.73 75.6 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.427 1.013 . . . . 0.0 113.071 -174.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -68.62 175.54 3.44 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.881 2.072 . . . . 0.0 112.201 169.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -172.16 150.67 2.49 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.719 1.607 . . . . 0.0 112.835 178.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.714 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -154.35 150.8 28.33 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.261 1.424 . . . . 0.0 112.423 177.177 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 67.4 m95 -96.54 145.09 26.02 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.044 1.338 . . . . 0.0 111.252 172.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -138.25 157.19 46.76 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.215 1.406 . . . . 0.0 112.394 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -138.9 148.87 44.17 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.758 1.623 . . . . 0.0 111.561 174.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -77.68 115.82 17.74 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 118.26 0.482 . . . . 0.0 109.97 171.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -115.32 -139.29 6.79 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 125.348 1.451 . . . . 0.0 112.783 177.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 47.1 ptt85 -54.7 -32.55 59.7 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 116.624 2.083 . . . . 0.0 116.624 -170.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -143.11 -9.12 0.78 Allowed 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -173.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 164.24 -159.6 32.48 Favored Glycine 0 N--CA 1.469 0.876 0 C-N-CA 125.361 1.458 . . . . 0.0 112.388 -176.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -67.97 130.61 43.49 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.941 0.896 . . . . 0.0 112.47 176.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.9 m95 -130.2 141.04 50.68 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.94 1.696 . . . . 0.0 110.199 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -79.14 141.06 37.59 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.401 0.68 . . . . 0.0 110.982 -174.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -68.17 158.39 33.29 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 172.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -72.72 154.22 40.79 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.679 1.192 . . . . 0.0 112.038 172.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -68.44 -20.66 64.65 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.684 1.194 . . . . 0.0 113.311 -176.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -93.67 -10.83 33.14 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.181 0.993 . . . . 0.0 112.286 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.9 m -100.28 -53.39 3.13 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.276 1.43 . . . . 0.0 111.387 177.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 65.0 p -58.92 -28.55 66.32 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -24.77 67.72 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.98 0.912 . . . . 0.0 113.247 173.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -76.42 -36.74 57.84 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.942 0.792 . . . . 0.0 110.463 176.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.1 mt -72.13 -41.14 67.53 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.639 1.576 . . . . 0.0 110.799 178.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -56.66 -36.51 69.62 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.041 1.736 . . . . 0.0 112.48 169.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -80.13 -38.38 31.65 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.04 -1.037 . . . . 0.0 111.466 -175.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.41 -50.11 71.1 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.26 1.424 . . . . 0.0 113.971 -175.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -67.33 -24.0 65.68 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.266 0.484 . . . . 0.0 111.589 177.299 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -78.5 -30.64 47.32 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.708 1.203 . . . . 0.0 112.654 176.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -73.5 -42.9 61.22 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.659 1.184 . . . . 0.0 111.972 174.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.94 -7.24 8.8 Favored Glycine 0 N--CA 1.468 0.803 0 C-N-CA 124.895 1.236 . . . . 0.0 114.252 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -64.65 153.31 39.86 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.059 1.429 . . . . 0.0 112.317 172.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -97.85 -3.45 38.69 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.789 1.236 . . . . 0.0 113.356 -176.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -170.12 153.61 4.67 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 126.332 1.853 . . . . 0.0 110.176 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 t -147.39 176.38 10.06 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.372 1.469 . . . . 0.0 111.411 -175.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -125.42 144.93 50.29 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 125.202 1.401 . . . . 0.0 111.695 -169.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 10.3 ptt? -151.67 147.26 26.52 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.046 1.338 . . . . 0.0 112.255 -174.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.84 142.93 33.53 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.819 1.648 . . . . 0.0 110.299 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.58 -152.24 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.97 1.308 . . . . 0.0 112.162 -179.381 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.63 -16.83 17.78 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.59 14.78 0.03 OUTLIER Glycine 0 CA--C 1.534 1.22 0 N-CA-C 116.597 1.399 . . . . 0.0 116.597 178.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -148.61 153.56 38.49 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.909 1.354 . . . . 0.0 112.198 -169.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.21 125.02 37.59 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.524 1.129 . . . . 0.0 108.234 169.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -113.9 132.76 55.8 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.839 1.256 . . . . 0.0 111.429 171.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.8 t -89.47 120.79 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 C-N-CA 125.888 1.675 . . . . 0.0 107.206 171.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.02 121.21 41.38 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.332 1.453 . . . . 0.0 109.893 177.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -104.64 119.85 39.95 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.844 1.658 . . . . 0.0 111.069 -174.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.2 mt -78.98 -16.22 57.22 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.618 1.567 . . . . 0.0 113.821 -176.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -85.96 -47.53 9.53 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.946 0.898 . . . . 0.0 112.103 -173.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -94.84 -11.84 28.08 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.555 1.542 . . . . 0.0 111.878 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mmt 54.96 64.54 1.77 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.55 1.94 . . . . 0.0 111.198 -172.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.6 m -140.04 168.36 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.83 1.252 . . . . 0.0 111.304 176.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -126.98 152.77 46.76 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.599 1.56 . . . . 0.0 110.531 170.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -160.85 161.98 32.05 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.304 1.441 . . . . 0.0 113.642 176.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -70.95 149.37 46.76 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.348 0.659 . . . . 0.0 111.225 169.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 70.7 mtp85 -57.52 -25.23 59.56 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -178.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -67.51 -32.02 72.55 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 -174.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -165.03 126.01 2.01 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.554 1.142 . . . . 0.0 111.563 -175.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -66.94 -15.94 64.02 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.67 -19.9 79.72 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.361 1.457 . . . . 0.0 114.092 177.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.6 tpt85 -86.25 62.07 7.21 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.11 1.364 . . . . 0.0 109.692 175.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -115.41 156.31 25.81 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 -169.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 80.9 mtt85 -134.38 146.31 49.77 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 127.043 2.137 . . . . 0.0 110.163 172.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -67.56 142.89 56.36 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.684 1.194 . . . . 0.0 114.003 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.1 pt -123.68 166.99 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.301 1.44 . . . . 0.0 109.843 168.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -154.26 170.54 21.01 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.225 1.41 . . . . 0.0 111.871 175.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -120.04 139.27 52.77 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.277 1.431 . . . . 0.0 109.225 169.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -141.57 -177.98 5.42 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.898 1.679 . . . . 0.0 111.581 -173.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.2 mm -130.84 136.83 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 125.57 1.548 . . . . 0.0 110.101 -172.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.714 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.3 mp -86.95 143.48 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.121 0.968 . . . . 0.0 110.844 174.021 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -96.14 -26.47 15.46 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.5 mm 75.84 127.35 0.03 OUTLIER Pre-proline 0 N--CA 1.486 1.338 0 C-N-CA 129.154 2.981 . . . . 0.0 111.835 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -78.06 169.31 20.62 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 124.007 3.138 . . . . 0.0 112.067 -178.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -62.11 -15.96 49.13 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -74.88 -18.72 60.38 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.501 1.521 . . . . 0.0 113.223 173.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -74.07 39.66 1.0 Allowed Glycine 0 CA--C 1.537 1.458 0 C-N-CA 126.937 2.208 . . . . 0.0 115.592 -173.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.7 p -75.6 144.77 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.309 1.444 . . . . 0.0 111.207 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.8 m -68.46 -13.33 62.23 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -175.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 172.65 170.02 35.92 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 125.246 1.403 . . . . 0.0 113.792 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -73.12 150.43 48.0 Favored 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 123.981 3.121 . . . . 0.0 111.453 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 25.7 t -164.66 154.32 13.59 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.193 1.397 . . . . 0.0 111.483 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.8 m -81.92 -7.14 59.59 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.463 1.105 . . . . 0.0 113.738 177.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.153 0 C-N-CA 125.091 1.329 . . . . 0.0 113.059 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo . . . . . 0 CA--C 1.54 0.788 0 N-CA-C 113.456 0.522 . . . . 0.0 113.456 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 t -162.74 172.16 15.68 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.236 1.414 . . . . 0.0 111.286 179.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.7 p -150.91 10.0 0.6 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.639 1.576 . . . . 0.0 113.66 -173.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.78 146.07 36.31 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.507 1.051 . . . . 0.0 113.536 -175.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.0 p -169.81 168.5 8.83 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.904 2.082 . . . . 0.0 110.383 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.2 m -77.26 -14.95 59.66 Favored 'General case' 0 N--CA 1.477 0.875 0 O-C-N 120.77 -1.206 . . . . 0.0 113.622 176.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.65 -52.21 3.49 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 126.076 1.798 . . . . 0.0 115.284 169.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -97.7 161.2 13.87 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.745 1.618 . . . . 0.0 113.246 -169.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.7 tp -69.0 155.19 40.77 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.455 1.502 . . . . 0.0 111.345 173.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -62.89 163.56 9.38 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 123.234 1.492 . . . . 0.0 113.426 176.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -75.79 157.03 84.32 Favored Pre-proline 0 CA--C 1.552 1.031 0 C-N-CA 126.356 1.862 . . . . 0.0 114.491 -169.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -77.55 -176.47 3.23 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 124.625 3.55 . . . . 0.0 112.393 -178.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.7 t -151.48 163.23 39.47 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 126.154 1.782 . . . . 0.0 111.512 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp -102.26 -4.05 26.31 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.895 1.678 . . . . 0.0 111.654 -177.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.9 mt -89.95 -179.75 5.78 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.934 1.294 . . . . 0.0 112.451 -177.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.0 m -92.01 157.07 41.71 Favored Pre-proline 0 CA--C 1.539 0.544 0 C-N-CA 126.197 1.799 . . . . 0.0 111.722 174.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -61.35 -21.96 73.25 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 123.881 3.054 . . . . 0.0 113.07 177.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -78.41 -32.6 48.77 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.251 1.021 . . . . 0.0 112.398 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -70.76 -48.45 54.32 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.967 1.307 . . . . 0.0 111.983 -174.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mt -63.8 -41.56 97.89 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.813 1.645 . . . . 0.0 110.202 -177.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -64.54 -46.41 82.98 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.584 0.754 . . . . 0.0 111.983 169.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.09 -28.09 69.54 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -177.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.51 -28.58 63.59 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 172.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.7 t -99.28 -54.81 2.86 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.054 0.941 . . . . 0.0 111.32 176.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -67.35 -15.54 63.75 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.218 1.807 . . . . 0.0 114.838 -174.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.2 -17.79 70.49 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.763 1.173 . . . . 0.0 113.667 173.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -122.8 -47.87 2.05 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.599 1.16 . . . . 0.0 112.358 170.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.42 2.32 76.81 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 124.999 1.285 . . . . 0.0 114.035 178.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.18 -177.32 5.38 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 126.005 1.722 . . . . 0.0 111.882 174.308 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -172.24 153.61 3.08 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.077 1.751 . . . . 0.0 112.105 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.709 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -153.13 152.46 31.3 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.952 1.701 . . . . 0.0 110.223 175.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -118.6 146.44 44.62 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 124.626 1.17 . . . . 0.0 109.692 173.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -136.78 157.47 46.69 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.765 1.226 . . . . 0.0 111.456 -177.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -136.02 149.51 48.84 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.503 1.521 . . . . 0.0 111.385 175.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -75.48 91.73 2.81 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.327 0.512 . . . . 0.0 111.481 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.38 -177.88 52.11 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 124.363 0.983 . . . . 0.0 112.703 173.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -60.0 -33.91 72.63 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -171.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -108.45 -7.08 15.88 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 -177.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 151.54 -171.05 31.09 Favored Glycine 0 N--CA 1.473 1.126 0 C-N-CA 125.92 1.724 . . . . 0.0 112.805 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -63.58 127.11 29.86 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.259 0.624 . . . . 0.0 111.643 172.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -125.23 142.72 51.32 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.407 1.083 . . . . 0.0 111.31 175.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -82.1 138.28 34.82 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.729 0.812 . . . . 0.0 111.328 -172.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -69.16 150.67 47.26 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.757 0.823 . . . . 0.0 111.861 169.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -58.73 154.0 15.59 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.283 1.433 . . . . 0.0 112.791 176.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -68.11 -19.79 64.87 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.478 1.111 . . . . 0.0 113.285 -174.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.3 mmt85 -95.35 -12.0 26.81 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.41 1.084 . . . . 0.0 112.042 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.5 m -97.4 -53.59 3.41 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.5 1.52 . . . . 0.0 111.241 176.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.5 p -58.06 -30.66 66.38 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.129 0.972 . . . . 0.0 113.225 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -27.97 69.77 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 174.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -73.07 -39.33 65.96 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.921 0.782 . . . . 0.0 109.904 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.8 mt -66.88 -44.38 81.03 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.718 1.607 . . . . 0.0 110.608 177.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -62.49 -31.05 71.74 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.313 1.445 . . . . 0.0 112.923 175.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -80.78 -36.81 31.33 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.246 -0.909 . . . . 0.0 110.778 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.44 -49.11 76.76 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.787 1.235 . . . . 0.0 114.114 -174.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -69.45 -19.02 63.78 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.79 0.723 . . . . 0.0 111.96 176.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.2 t -83.17 -31.0 27.36 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.916 1.286 . . . . 0.0 112.604 175.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -73.49 -42.34 61.96 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.113 1.365 . . . . 0.0 111.682 175.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.7 -7.38 8.34 Favored Glycine 0 C--N 1.34 0.779 0 C-N-CA 124.924 1.25 . . . . 0.0 114.174 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -65.34 151.66 45.71 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 119.158 1.479 . . . . 0.0 112.48 173.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -98.85 -0.41 42.49 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.161 1.384 . . . . 0.0 113.091 -175.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -171.64 147.92 2.37 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 126.885 2.074 . . . . 0.0 109.553 176.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.4 t -136.55 179.58 6.28 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.375 1.07 . . . . 0.0 111.748 178.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -128.92 146.57 50.92 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 125.631 1.573 . . . . 0.0 111.592 -171.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.2 ptt? -152.21 146.7 25.64 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.954 1.302 . . . . 0.0 112.101 -174.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.93 142.56 33.03 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.807 1.643 . . . . 0.0 109.93 177.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.32 -152.79 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.872 1.269 . . . . 0.0 111.734 -179.012 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.24 -15.9 18.06 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 115.556 1.687 . . . . 0.0 115.556 178.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.92 15.58 0.03 OUTLIER Glycine 0 CA--C 1.533 1.179 0 N-CA-C 116.803 1.481 . . . . 0.0 116.803 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -149.97 154.28 37.98 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.839 1.319 . . . . 0.0 111.993 -169.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.63 124.38 38.63 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.416 1.086 . . . . 0.0 108.079 169.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -112.68 130.9 55.89 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.46 1.104 . . . . 0.0 111.461 170.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.5 t -83.68 120.49 34.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 106.797 -1.556 . . . . 0.0 106.797 169.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.47 108.39 19.87 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 124.166 0.986 . . . . 0.0 108.458 170.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -82.21 111.81 18.65 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.374 1.47 . . . . 0.0 109.163 176.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.8 mp -86.92 -8.47 57.22 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.905 1.282 . . . . 0.0 112.46 -177.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -79.03 -52.61 7.98 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.417 1.008 . . . . 0.0 111.015 173.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -94.43 -10.07 33.58 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.339 1.856 . . . . 0.0 112.128 -173.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.3 mmt 55.96 64.81 1.61 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.659 1.984 . . . . 0.0 111.329 -173.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.9 m -142.76 154.29 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 O-C-N 121.238 -0.914 . . . . 0.0 112.347 178.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -101.3 145.97 28.17 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.814 0.846 . . . . 0.0 109.707 168.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -161.53 160.25 28.81 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.706 1.202 . . . . 0.0 113.783 171.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -79.27 137.1 37.24 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.975 1.31 . . . . 0.0 111.175 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -47.45 -45.85 26.25 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.356 1.462 . . . . 0.0 114.516 -175.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -92.43 0.44 57.44 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.961 1.304 . . . . 0.0 113.759 -175.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -148.01 50.23 1.04 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.604 1.562 . . . . 0.0 109.639 -169.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 39.0 p-80 -64.86 -18.17 64.92 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -169.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.83 -37.21 92.12 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.941 1.258 . . . . 0.0 112.617 175.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.8 mmm-85 -71.35 102.36 2.59 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.053 0.941 . . . . 0.0 109.569 169.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 31.6 ptt-85 -146.51 162.9 37.33 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.552 1.141 . . . . 0.0 113.435 -174.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.4 ptt-85 -158.25 149.94 21.43 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.814 1.646 . . . . 0.0 111.339 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -64.47 144.64 57.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.583 1.553 . . . . 0.0 114.003 -172.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.9 pt -122.15 170.48 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.913 1.685 . . . . 0.0 110.681 170.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.7 pttt -155.73 165.75 35.58 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.719 1.208 . . . . 0.0 113.07 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.7 mtp-105 -103.92 152.23 22.21 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.548 1.539 . . . . 0.0 110.647 167.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -150.28 168.57 23.67 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.368 1.867 . . . . 0.0 110.939 172.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.3 mm -123.97 134.63 65.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.508 1.523 . . . . 0.0 109.074 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.709 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.4 mp -85.62 141.11 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 123.745 0.818 . . . . 0.0 110.611 175.236 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -99.18 -22.06 15.83 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 23.2 mm 75.66 128.03 0.03 OUTLIER Pre-proline 0 N--CA 1.486 1.326 0 C-N-CA 128.874 2.87 . . . . 0.0 112.005 176.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -78.88 170.61 17.76 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 124.014 3.143 . . . . 0.0 111.971 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -63.68 -15.08 57.45 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 175.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -79.68 -13.44 59.47 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.721 1.608 . . . . 0.0 113.159 172.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -74.6 52.83 2.37 Favored Glycine 0 N--CA 1.475 1.284 0 C-N-CA 126.782 2.134 . . . . 0.0 114.63 -176.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 89.0 t -63.31 132.78 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 125.572 1.549 . . . . 0.0 110.092 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 53.7 p -81.03 -0.96 42.06 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 -170.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.71 133.52 32.27 Favored Glycine 0 CA--C 1.544 1.868 0 CA-C-O 117.861 -1.521 . . . . 0.0 112.203 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -57.34 143.93 92.6 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.937 3.091 . . . . 0.0 113.569 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 51.0 p -85.67 2.43 45.29 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.025 1.33 . . . . 0.0 113.601 177.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.9 m -73.18 -7.88 53.34 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.562 1.545 . . . . 0.0 114.991 -173.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.227 0 C-N-CA 125.302 1.429 . . . . 0.0 112.935 179.772 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo . . . . . 0 CA--C 1.539 0.76 0 N-CA-C 113.472 0.528 . . . . 0.0 113.472 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 p -88.85 -2.78 58.76 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.907 1.283 . . . . 0.0 114.103 -178.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -161.96 175.93 11.32 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.279 1.832 . . . . 0.0 110.983 -178.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.4 -154.59 21.85 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 125.471 1.51 . . . . 0.0 112.757 -175.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 t -161.13 164.52 30.58 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.154 1.382 . . . . 0.0 111.607 -177.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 m -78.9 -6.26 55.71 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.903 1.281 . . . . 0.0 114.03 -177.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.88 167.04 31.03 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 125.567 1.556 . . . . 0.0 113.643 178.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -130.36 178.32 6.68 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.35 1.86 . . . . 0.0 112.447 -174.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.4 tp -143.47 139.03 29.68 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.684 1.594 . . . . 0.0 109.752 175.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -154.98 173.16 16.94 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.422 1.489 . . . . 0.0 111.663 -172.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -136.37 160.31 67.34 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 126.978 2.111 . . . . 0.0 112.675 -172.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -72.05 171.82 15.95 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 124.014 3.143 . . . . 0.0 112.684 -176.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.9 t -168.82 171.1 8.76 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 126.462 1.905 . . . . 0.0 111.425 -169.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp -108.25 -5.02 17.04 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.424 1.89 . . . . 0.0 111.773 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.3 mt -93.06 -177.8 4.6 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.951 1.301 . . . . 0.0 112.783 -176.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 m -93.9 156.28 39.46 Favored Pre-proline 0 CA--C 1.539 0.55 0 C-N-CA 126.838 2.055 . . . . 0.0 112.347 177.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -60.54 -22.36 71.9 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 123.856 3.037 . . . . 0.0 113.014 176.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -87.27 -11.94 48.12 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.523 1.129 . . . . 0.0 113.253 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -88.55 -51.0 5.93 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.962 1.305 . . . . 0.0 110.736 175.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mt -61.03 -48.65 80.79 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 125.488 1.515 . . . . 0.0 110.523 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -64.67 -28.3 69.51 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 176.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.81 -43.1 47.75 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.748 0.819 . . . . 0.0 112.096 175.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.46 -44.29 83.17 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.119 0.968 . . . . 0.0 112.018 175.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.5 t -67.29 -19.66 65.52 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.376 1.071 . . . . 0.0 113.456 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -69.54 -26.66 64.61 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.863 0.865 . . . . 0.0 112.297 171.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.9 -59.73 1.57 Allowed Glycine 0 CA--C 1.53 0.997 0 C-N-CA 125.416 1.484 . . . . 0.0 111.584 172.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -160.02 -42.27 0.05 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.794 1.237 . . . . 0.0 112.931 174.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.25 -10.42 22.32 Favored Glycine 0 N--CA 1.475 1.274 0 C-N-CA 125.902 1.715 . . . . 0.0 114.417 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.84 -177.45 4.97 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.384 1.474 . . . . 0.0 112.663 173.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.2 p90 -171.46 152.01 3.16 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.269 1.828 . . . . 0.0 112.662 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.655 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -155.62 157.38 36.63 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.465 1.506 . . . . 0.0 111.321 176.45 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -111.51 149.8 30.85 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.476 1.11 . . . . 0.0 110.074 169.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -135.85 157.06 47.79 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.003 1.321 . . . . 0.0 111.527 178.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -136.76 148.33 47.18 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.061 1.344 . . . . 0.0 112.062 176.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.38 100.96 10.3 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.856 1.262 . . . . 0.0 109.015 -177.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.99 -143.16 8.5 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 124.684 1.135 . . . . 0.0 112.388 -176.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -89.72 -23.87 21.7 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.267 1.027 . . . . 0.0 113.63 -178.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -124.86 -6.2 7.38 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.992 1.478 . . . . 0.0 114.992 -175.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 155.26 -168.61 33.12 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 125.65 1.595 . . . . 0.0 113.13 178.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -68.58 128.21 35.8 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.586 0.754 . . . . 0.0 111.372 171.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 43.8 m95 -126.38 141.47 51.89 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.121 1.368 . . . . 0.0 110.979 177.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -79.41 139.15 37.78 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.287 0.635 . . . . 0.0 111.122 -173.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -68.79 158.49 34.26 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.931 0.892 . . . . 0.0 113.239 170.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -69.26 154.87 41.35 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.332 1.053 . . . . 0.0 112.15 171.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -68.12 -21.29 64.94 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.632 1.173 . . . . 0.0 113.362 -176.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.7 mmt85 -93.41 -13.98 27.34 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.003 0.921 . . . . 0.0 112.149 177.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.1 m -95.9 -52.62 3.99 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.235 1.414 . . . . 0.0 111.281 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.1 p -59.34 -29.31 67.57 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.321 0.859 . . . . 0.0 113.321 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -28.42 69.97 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 119.006 -0.521 . . . . 0.0 112.289 174.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -72.24 -38.33 68.93 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.08 0.854 . . . . 0.0 109.989 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.4 mt -68.71 -44.69 73.39 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.744 1.618 . . . . 0.0 110.699 177.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -62.43 -32.84 73.76 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.54 1.536 . . . . 0.0 112.871 176.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -81.2 -35.07 31.82 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.265 1.026 . . . . 0.0 111.158 -178.055 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.68 -49.5 74.87 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.754 1.222 . . . . 0.0 114.146 -175.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -68.57 -21.59 64.52 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 118.928 0.786 . . . . 0.0 111.826 176.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.1 t -80.69 -30.68 36.41 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.892 1.277 . . . . 0.0 112.547 176.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -73.62 -42.73 61.1 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.126 1.37 . . . . 0.0 111.703 173.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.51 -7.44 7.93 Favored Glycine 0 N--CA 1.468 0.833 0 C-N-CA 124.964 1.268 . . . . 0.0 114.171 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -65.89 151.83 45.84 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.255 1.527 . . . . 0.0 112.414 173.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -99.64 0.69 42.55 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.196 1.398 . . . . 0.0 113.31 -175.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -171.72 147.23 2.24 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.884 2.074 . . . . 0.0 109.496 176.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.2 t -136.25 176.95 8.23 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.177 0.991 . . . . 0.0 112.001 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -125.1 147.71 48.87 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 125.705 1.602 . . . . 0.0 111.627 -171.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.1 ptt? -155.07 146.13 22.68 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.777 1.231 . . . . 0.0 112.226 -174.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.54 143.02 32.03 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.842 1.657 . . . . 0.0 110.131 177.412 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.31 -151.94 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.069 1.348 . . . . 0.0 111.794 -178.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.27 -17.48 29.04 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 178.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.83 16.91 0.03 OUTLIER Glycine 0 CA--C 1.534 1.22 0 N-CA-C 116.53 1.372 . . . . 0.0 116.53 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -148.71 152.29 36.38 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.735 1.267 . . . . 0.0 111.899 -171.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.45 122.09 35.53 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 168.122 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -109.37 130.18 55.51 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 124.691 1.196 . . . . 0.0 110.954 171.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.3 t -86.41 116.04 28.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 170.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.62 110.82 20.66 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.292 1.037 . . . . 0.0 108.81 172.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -84.16 110.81 18.8 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.785 1.634 . . . . 0.0 109.379 178.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.8 mp -86.07 -9.0 57.5 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.695 1.198 . . . . 0.0 112.624 -177.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -77.87 -50.3 12.53 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.085 0.857 . . . . 0.0 111.502 174.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -99.19 -10.18 22.78 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.201 1.801 . . . . 0.0 112.048 -172.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.4 mmt 54.19 65.49 1.49 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.406 1.882 . . . . 0.0 111.122 -172.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.7 m -139.22 168.84 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 125.506 1.522 . . . . 0.0 110.818 174.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -122.62 147.2 46.71 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.723 1.609 . . . . 0.0 110.113 169.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -155.52 150.85 26.98 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.968 1.307 . . . . 0.0 112.53 174.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -78.92 141.99 37.12 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.834 1.654 . . . . 0.0 111.428 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -58.63 -18.89 34.26 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -175.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -75.34 -21.09 58.65 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -156.64 127.41 6.75 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 122.371 1.081 . . . . 0.0 112.72 177.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -86.28 -26.19 25.1 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.459 1.103 . . . . 0.0 113.653 -173.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -76.57 -47.28 10.39 Favored Glycine 0 N--CA 1.471 0.989 0 C-N-CA 124.168 0.89 . . . . 0.0 112.315 -174.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -66.15 114.36 5.21 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.315 1.046 . . . . 0.0 109.355 172.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.7 ptt-85 -150.82 156.99 42.37 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.079 1.352 . . . . 0.0 112.184 -171.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -129.89 144.69 51.45 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.567 1.547 . . . . 0.0 110.065 177.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.3 mmmt -65.51 147.33 53.59 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.46 1.104 . . . . 0.0 113.773 -177.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.8 pt -130.55 167.16 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 124.879 1.272 . . . . 0.0 110.269 168.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 43.6 pttt -155.33 165.55 36.29 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.835 1.254 . . . . 0.0 112.979 176.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -105.26 146.41 29.36 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.261 1.825 . . . . 0.0 109.597 168.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.22 179.6 8.38 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.411 1.484 . . . . 0.0 111.972 -178.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.9 mm -131.22 139.88 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 126.07 1.748 . . . . 0.0 110.204 -175.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.655 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.3 mp -90.24 141.19 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 123.951 0.901 . . . . 0.0 110.261 171.149 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -100.94 -18.47 16.31 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 26.2 mm 76.46 129.26 0.03 OUTLIER Pre-proline 0 N--CA 1.486 1.33 0 C-N-CA 128.766 2.826 . . . . 0.0 112.16 174.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -77.01 173.42 14.48 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 124.015 3.143 . . . . 0.0 111.82 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -57.14 -25.69 59.29 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -56.07 -20.97 19.3 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.32 1.448 . . . . 0.0 113.539 173.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -62.63 -12.05 38.75 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.597 1.57 . . . . 0.0 115.197 172.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.0 p -62.68 -22.3 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 CA-C-N 118.634 1.217 . . . . 0.0 112.909 169.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 69.7 m -77.93 115.74 17.9 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.874 0.87 . . . . 0.0 111.282 175.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -82.11 172.83 53.03 Favored Glycine 0 CA--C 1.541 1.676 0 C-N-CA 124.335 0.969 . . . . 0.0 114.318 -177.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -72.4 162.91 40.17 Favored 'Trans proline' 0 CA--C 1.536 0.593 0 C-N-CA 124.246 3.297 . . . . 0.0 111.922 178.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.4 m -72.75 -4.45 31.46 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -176.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.7 t -163.05 153.49 16.34 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.056 1.742 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.193 0 C-N-CA 125.353 1.454 . . . . 0.0 112.634 -178.313 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo . . . . . 0 CA--C 1.54 0.787 0 N-CA-C 113.561 0.562 . . . . 0.0 113.561 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -164.01 177.63 8.34 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.472 1.509 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 m -163.39 147.81 10.9 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.62 1.968 . . . . 0.0 111.175 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.0 165.74 41.17 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 124.858 1.218 . . . . 0.0 113.602 -177.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.5 p -168.16 156.22 8.58 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.286 1.435 . . . . 0.0 112.039 -175.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.5 p -85.73 -14.24 45.92 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.247 1.019 . . . . 0.0 113.698 174.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.03 174.37 37.21 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 125.646 1.593 . . . . 0.0 113.114 173.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -132.91 157.27 45.53 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.758 1.623 . . . . 0.0 111.958 -174.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.3 tp -99.64 150.31 22.39 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.589 1.556 . . . . 0.0 111.247 -178.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -67.68 160.32 28.24 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.66 1.184 . . . . 0.0 113.336 175.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -129.62 157.86 75.23 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 125.49 1.516 . . . . 0.0 113.316 -172.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -76.03 -176.13 2.88 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 124.671 3.581 . . . . 0.0 112.526 -177.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.8 t -147.95 162.09 40.03 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 126.083 1.753 . . . . 0.0 111.633 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mp -106.53 -2.74 21.59 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.062 1.745 . . . . 0.0 111.695 -177.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.3 mt -87.21 -178.55 6.25 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.933 1.293 . . . . 0.0 112.456 -177.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.7 m -94.18 157.78 37.08 Favored Pre-proline 0 CA--C 1.538 0.484 0 C-N-CA 126.349 1.86 . . . . 0.0 111.618 175.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -60.11 -25.3 79.49 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.737 2.958 . . . . 0.0 112.776 177.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -76.37 -33.48 58.91 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.346 1.058 . . . . 0.0 112.383 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -69.53 -48.93 58.85 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.801 1.24 . . . . 0.0 111.493 -177.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.3 mt -64.49 -47.19 79.88 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.687 1.595 . . . . 0.0 110.291 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -60.33 -38.72 84.62 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 171.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.55 -38.09 80.5 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.667 1.121 . . . . 0.0 112.615 176.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.29 95.6 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.89 0.876 . . . . 0.0 111.896 172.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.7 t -69.33 -33.18 72.74 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.819 0.848 . . . . 0.0 112.953 179.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -62.41 -21.86 65.72 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.724 1.209 . . . . 0.0 112.979 171.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.12 -15.35 76.58 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.939 1.733 . . . . 0.0 114.916 176.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -67.32 120.85 14.51 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.612 1.206 . . . . 0.0 111.613 174.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.4 -1.34 40.81 Favored Glycine 0 N--CA 1.475 1.286 0 C-N-CA 125.392 1.472 . . . . 0.0 115.764 -172.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -154.57 -175.06 5.23 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.635 1.974 . . . . 0.0 110.233 -173.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -170.85 152.43 3.64 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.504 1.521 . . . . 0.0 112.583 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.671 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -153.13 158.62 42.1 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.95 1.7 . . . . 0.0 110.448 176.321 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -118.52 149.44 41.3 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.429 1.092 . . . . 0.0 109.993 170.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -137.46 155.89 48.8 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.968 1.307 . . . . 0.0 111.357 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -135.57 149.11 49.31 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.304 1.442 . . . . 0.0 111.282 174.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -80.94 104.07 11.2 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 118.26 0.482 . . . . 0.0 110.735 175.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.96 -156.22 27.19 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.356 0.979 . . . . 0.0 111.696 169.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 82.7 mmt-85 -61.28 -43.53 98.73 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.951 0.9 . . . . 0.0 113.422 -177.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -107.08 -9.92 16.05 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 -170.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 153.41 -161.61 29.84 Favored Glycine 0 N--CA 1.472 1.067 0 C-N-CA 125.275 1.417 . . . . 0.0 113.165 178.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -66.67 129.36 39.6 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.084 0.954 . . . . 0.0 112.378 174.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 61.3 m95 -129.47 139.26 51.64 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.408 1.483 . . . . 0.0 110.61 175.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -82.12 140.37 33.84 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.621 0.768 . . . . 0.0 111.557 -170.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -71.5 156.28 39.62 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.949 0.899 . . . . 0.0 112.854 169.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -66.04 156.32 34.13 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.811 1.244 . . . . 0.0 112.248 172.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -66.88 -22.1 65.98 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.634 1.174 . . . . 0.0 113.192 -176.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -92.74 -13.85 28.75 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.898 0.879 . . . . 0.0 112.23 177.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.4 m -95.86 -52.53 4.03 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.086 1.354 . . . . 0.0 111.314 176.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.3 p -59.88 -29.37 68.27 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -28.36 69.98 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-O 118.911 -0.566 . . . . 0.0 112.422 174.142 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -72.46 -39.03 68.08 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.107 0.867 . . . . 0.0 110.001 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.1 mt -67.69 -44.83 76.82 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.655 1.582 . . . . 0.0 110.669 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -63.84 -30.68 71.75 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.279 1.432 . . . . 0.0 112.83 176.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -81.69 -37.55 27.2 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.053 0.941 . . . . 0.0 110.954 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.96 -49.18 78.67 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.814 1.246 . . . . 0.0 114.157 -176.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -69.46 -18.66 63.73 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.722 0.692 . . . . 0.0 112.095 176.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.8 t -84.53 -30.07 25.42 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.012 1.325 . . . . 0.0 112.56 175.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -74.73 -42.61 57.97 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.135 1.374 . . . . 0.0 111.736 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.12 -7.49 8.1 Favored Glycine 0 C--N 1.34 0.802 0 C-N-CA 124.87 1.224 . . . . 0.0 114.199 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -65.8 151.16 47.27 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.116 1.458 . . . . 0.0 112.266 172.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.9 pttt -98.57 -0.73 42.6 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.891 1.276 . . . . 0.0 113.334 -175.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 -170.42 146.57 2.85 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.88 2.072 . . . . 0.0 109.421 178.244 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 t -134.74 176.69 8.41 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.293 1.037 . . . . 0.0 111.904 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -126.57 145.36 50.57 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.569 1.547 . . . . 0.0 111.488 -172.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.6 ptt? -151.16 146.35 26.06 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.873 1.269 . . . . 0.0 112.077 -173.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.39 142.82 32.22 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.819 1.648 . . . . 0.0 109.906 177.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.82 -152.84 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.968 1.307 . . . . 0.0 111.635 -179.198 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.29 -16.07 19.56 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 178.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.72 16.13 0.03 OUTLIER Glycine 0 CA--C 1.534 1.264 0 N-CA-C 116.637 1.415 . . . . 0.0 116.637 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -150.28 152.66 34.86 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.841 1.321 . . . . 0.0 112.129 -169.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.14 124.78 37.36 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 169.043 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -113.4 130.21 56.35 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.574 1.15 . . . . 0.0 111.296 170.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.8 t -85.86 113.79 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 125.772 1.629 . . . . 0.0 107.093 171.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.45 108.51 19.42 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.378 1.071 . . . . 0.0 108.994 173.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -84.0 114.94 22.07 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.12 1.368 . . . . 0.0 110.495 176.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.0 mp -86.15 -13.37 47.29 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.953 1.301 . . . . 0.0 112.19 -178.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -65.99 -54.66 23.34 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.386 0.994 . . . . 0.0 111.78 174.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -101.86 -5.99 24.1 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.633 1.573 . . . . 0.0 112.424 -173.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.7 mmt 58.07 65.08 1.36 Allowed 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.79 2.036 . . . . 0.0 111.085 -173.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.5 m -140.34 170.25 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 124.235 1.014 . . . . 0.0 111.341 177.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.98 136.28 28.32 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.169 0.988 . . . . 0.0 111.774 177.288 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -151.47 163.64 38.54 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.965 1.706 . . . . 0.0 113.956 -172.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -73.37 148.01 43.79 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 121.331 -0.856 . . . . 0.0 111.64 172.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -54.91 -24.86 25.5 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -178.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -68.99 -30.84 69.33 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -177.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -165.2 129.13 2.35 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.68 0.792 . . . . 0.0 112.91 -171.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -65.36 -15.8 62.94 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 175.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.42 -17.03 79.74 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 125.689 1.614 . . . . 0.0 114.053 177.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.4 tpt85 -83.45 39.26 0.66 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.006 1.723 . . . . 0.0 111.441 175.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.8 ptt-85 -99.17 148.75 23.77 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 115.763 1.764 . . . . 0.0 115.763 -169.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -131.05 145.79 52.15 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 127.764 2.426 . . . . 0.0 109.549 172.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -65.86 143.06 57.69 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.333 1.053 . . . . 0.0 113.341 178.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.2 pt -125.79 168.78 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.973 1.309 . . . . 0.0 111.001 169.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -155.84 165.62 35.94 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.321 1.449 . . . . 0.0 112.901 174.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.9 mtp-105 -99.92 151.62 21.11 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.22 1.408 . . . . 0.0 109.243 166.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.03 178.63 9.49 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.16 1.384 . . . . 0.0 111.587 174.275 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.5 mm -130.61 140.34 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 125.546 1.539 . . . . 0.0 110.353 -175.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.671 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.1 mp -92.05 140.54 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.277 1.031 . . . . 0.0 110.673 171.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -104.38 -18.41 14.43 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.6 mm 74.69 127.84 0.03 OUTLIER Pre-proline 0 N--CA 1.486 1.336 0 C-N-CA 129.09 2.956 . . . . 0.0 111.628 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -76.85 167.41 25.31 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 123.645 2.897 . . . . 0.0 112.411 -176.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -64.39 -11.92 37.67 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 177.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -83.08 -30.3 28.1 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.018 1.327 . . . . 0.0 112.385 169.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -87.31 -39.48 7.3 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 125.489 1.519 . . . . 0.0 113.005 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.3 t -73.05 115.95 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.046 0.938 . . . . 0.0 108.672 170.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.1 t -165.68 165.16 18.86 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.055 1.342 . . . . 0.0 111.724 -175.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -84.26 173.52 50.1 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 125.041 1.305 . . . . 0.0 113.931 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -74.68 161.21 39.93 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 124.095 3.197 . . . . 0.0 111.795 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 18.8 m -68.36 -5.62 19.86 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.2 m -74.78 -9.1 58.23 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.487 1.515 . . . . 0.0 114.268 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.173 0 C-N-CA 125.092 1.329 . . . . 0.0 113.161 179.11 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo . . . . . 0 CA--C 1.541 0.834 0 N-CA-C 113.456 0.522 . . . . 0.0 113.456 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 p -68.47 -20.84 64.64 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.815 0.846 . . . . 0.0 113.036 174.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 p -86.35 10.59 14.48 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.885 2.074 . . . . 0.0 113.099 169.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.09 -129.69 9.28 Favored Glycine 0 C--N 1.342 0.873 0 C-N-CA 125.17 1.367 . . . . 0.0 111.103 -176.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 m -94.45 10.76 33.18 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.873 1.269 . . . . 0.0 113.036 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -65.52 138.72 58.25 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 120.754 -1.217 . . . . 0.0 113.188 -176.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.25 171.12 36.14 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 125.568 1.556 . . . . 0.0 113.276 -178.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -111.88 164.98 12.49 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.621 1.568 . . . . 0.0 112.835 -176.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.492 HD23 ' H ' ' A' ' 10' ' ' ASP . 0.5 OUTLIER -155.57 166.35 33.79 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.251 1.82 . . . . 0.0 110.75 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.492 ' H ' HD23 ' A' ' 9' ' ' LEU . 17.7 m-20 -145.05 142.04 29.39 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.42 1.488 . . . . 0.0 112.096 -172.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -78.13 163.01 64.82 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 125.388 1.475 . . . . 0.0 113.143 173.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -69.22 173.5 10.4 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 123.493 2.796 . . . . 0.0 112.065 178.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.8 t -164.89 171.61 13.9 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.084 1.353 . . . . 0.0 112.477 -168.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mp -120.08 -1.23 10.4 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.791 2.036 . . . . 0.0 111.667 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.5 mt -77.52 -179.97 6.15 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 122.774 1.273 . . . . 0.0 112.46 175.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.7 m -86.53 155.21 56.73 Favored Pre-proline 0 CA--C 1.537 0.468 0 C-N-CA 126.149 1.78 . . . . 0.0 111.927 175.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -61.73 -22.1 73.63 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.612 2.875 . . . . 0.0 112.787 177.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -81.09 -31.27 34.41 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.212 1.005 . . . . 0.0 112.467 178.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -68.28 -49.22 61.97 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.032 1.333 . . . . 0.0 111.251 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 mt -67.05 -46.34 74.65 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 125.987 1.715 . . . . 0.0 110.477 -177.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -59.58 -40.18 86.52 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 118.461 -0.78 . . . . 0.0 112.551 170.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.78 -38.58 89.39 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.963 1.256 . . . . 0.0 112.559 176.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.51 -46.77 84.54 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.725 0.81 . . . . 0.0 112.048 172.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.1 t -64.16 -38.69 91.96 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.428 1.091 . . . . 0.0 112.935 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -69.33 -16.46 63.55 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.318 1.447 . . . . 0.0 113.605 174.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.58 -67.02 1.55 Allowed Glycine 0 C--N 1.341 0.854 0 N-CA-C 109.719 -1.353 . . . . 0.0 109.719 169.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -165.99 -9.41 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 170.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.99 4.65 66.83 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 125.265 1.412 . . . . 0.0 112.975 -168.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.9 -176.56 6.17 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.651 1.981 . . . . 0.0 112.566 175.004 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -170.99 151.4 3.28 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.917 1.687 . . . . 0.0 113.186 -179.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.656 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -155.17 158.84 39.56 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.045 1.738 . . . . 0.0 111.395 176.113 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 55.6 m95 -111.59 146.96 36.45 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.047 1.339 . . . . 0.0 111.127 172.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -137.8 155.16 49.31 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.39 1.476 . . . . 0.0 112.069 -178.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -129.44 152.77 48.62 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.838 1.655 . . . . 0.0 111.47 174.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -73.16 103.47 3.91 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 122.033 -0.417 . . . . 0.0 110.234 172.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -89.48 178.57 44.42 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 124.642 1.115 . . . . 0.0 112.236 170.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.3 ttm-85 -67.7 -29.08 68.24 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -172.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -106.27 -6.36 18.48 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.281 1.432 . . . . 0.0 114.475 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.0 -173.51 29.69 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 126.275 1.893 . . . . 0.0 112.665 179.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -63.02 129.65 41.29 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 122.145 -0.621 . . . . 0.0 111.868 171.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -127.87 144.42 51.09 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.398 1.079 . . . . 0.0 111.648 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -80.24 141.75 35.28 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.755 0.822 . . . . 0.0 111.22 -173.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -68.83 158.82 33.67 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 172.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -64.96 149.11 50.32 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.65 1.18 . . . . 0.0 111.767 170.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -69.01 -17.95 63.98 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.787 1.235 . . . . 0.0 113.424 -173.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 -95.14 -11.79 27.55 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.306 1.042 . . . . 0.0 111.777 175.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.5 m -95.04 -53.97 3.62 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.768 1.227 . . . . 0.0 110.794 173.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.5 p -59.25 -29.94 67.91 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -177.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -30.0 71.14 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 122.864 0.466 . . . . 0.0 112.255 175.23 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -70.44 -36.56 74.02 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.049 0.84 . . . . 0.0 110.116 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.7 mt -75.25 -40.32 59.06 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.171 1.788 . . . . 0.0 111.076 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -64.17 -44.18 92.85 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.008 0.923 . . . . 0.0 112.488 171.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -67.47 -36.56 81.38 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.563 0.697 . . . . 0.0 110.151 -175.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.87 -49.44 77.45 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.286 1.435 . . . . 0.0 113.842 175.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -66.17 -24.31 66.62 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.896 1.225 . . . . 0.0 111.82 174.247 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.8 t -80.82 -24.45 38.47 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.755 1.222 . . . . 0.0 113.585 177.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -81.69 -42.51 19.8 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.21 1.404 . . . . 0.0 112.088 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.48 -7.61 9.02 Favored Glycine 0 C--N 1.34 0.791 0 C-N-CA 124.776 1.179 . . . . 0.0 114.229 -176.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -65.61 155.4 35.94 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.169 1.484 . . . . 0.0 111.957 169.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.5 pttp -104.03 0.33 29.71 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.801 1.24 . . . . 0.0 113.284 -177.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -169.93 152.96 4.56 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 126.134 1.773 . . . . 0.0 110.664 177.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.9 t -148.56 176.05 10.65 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.505 1.522 . . . . 0.0 111.39 -175.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -121.35 145.76 47.56 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.318 1.447 . . . . 0.0 111.9 -172.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -153.59 155.31 35.87 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.176 1.39 . . . . 0.0 112.263 -177.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.55 143.28 33.93 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.997 1.719 . . . . 0.0 110.306 178.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.48 -153.07 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.011 1.324 . . . . 0.0 112.044 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.17 -17.26 17.48 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 115.61 1.708 . . . . 0.0 115.61 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.54 17.31 0.03 OUTLIER Glycine 0 CA--C 1.535 1.292 0 N-CA-C 116.351 1.3 . . . . 0.0 116.351 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -151.32 150.96 31.12 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.695 1.248 . . . . 0.0 112.559 -169.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.03 125.5 35.84 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.708 1.203 . . . . 0.0 107.947 169.083 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -119.58 137.4 53.87 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.779 1.232 . . . . 0.0 111.98 173.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 43.1 t -89.06 111.2 22.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 C-N-CA 125.72 1.608 . . . . 0.0 108.047 173.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.71 104.48 10.33 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.72 1.208 . . . . 0.0 110.336 173.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -81.46 110.61 17.02 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.666 1.586 . . . . 0.0 109.341 176.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 76.1 mt -81.16 -9.12 59.85 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.932 0.893 . . . . 0.0 112.49 -178.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -86.95 -51.03 6.27 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.475 1.11 . . . . 0.0 111.282 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -97.1 -9.6 27.68 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.773 2.029 . . . . 0.0 111.764 -174.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.9 mmt 59.98 59.14 2.51 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.93 2.092 . . . . 0.0 112.167 -178.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 16.7 m -145.19 158.48 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -175.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -116.61 134.71 54.5 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 127.056 2.142 . . . . 0.0 110.7 177.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -154.44 156.92 37.64 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.686 1.594 . . . . 0.0 111.952 176.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 79.1 mtt85 -72.1 152.66 42.2 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 121.119 -0.988 . . . . 0.0 110.76 173.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.8 mtp-105 -57.18 -21.65 34.71 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 -172.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -98.09 -4.11 36.51 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.595 1.558 . . . . 0.0 114.799 -177.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -137.36 163.56 30.71 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.712 1.142 . . . . 0.0 113.511 -172.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 27.1 p80 -138.76 -23.62 0.94 Allowed 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 173.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -75.6 -15.87 80.99 Favored Glycine 0 N--CA 1.477 1.385 0 C-N-CA 124.385 0.993 . . . . 0.0 114.706 -175.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -94.92 6.71 48.26 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.698 1.599 . . . . 0.0 112.716 177.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -56.51 138.81 51.13 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.634 1.174 . . . . 0.0 113.652 -172.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -126.25 137.16 53.49 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.668 1.587 . . . . 0.0 111.54 -171.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt -71.05 143.41 50.73 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 115.386 1.625 . . . . 0.0 115.386 -169.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 31.3 pt -132.93 173.04 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 127.087 2.155 . . . . 0.0 110.584 171.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.0 pttt -155.39 165.4 36.73 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.422 1.489 . . . . 0.0 112.265 174.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 46.1 mtm105 -102.14 146.06 28.48 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.258 1.423 . . . . 0.0 108.729 167.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.14 179.66 7.46 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.274 1.429 . . . . 0.0 111.608 178.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.8 mm -133.73 137.16 53.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 125.349 1.46 . . . . 0.0 110.358 -170.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.656 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.3 mp -89.42 143.26 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.241 1.016 . . . . 0.0 110.85 173.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -96.72 -28.51 14.26 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.9 mm 74.34 127.59 0.03 OUTLIER Pre-proline 0 N--CA 1.486 1.354 0 C-N-CA 129.07 2.948 . . . . 0.0 112.212 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -79.04 168.78 20.16 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 124.084 3.189 . . . . 0.0 112.082 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -57.41 -31.44 65.86 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -69.32 -24.99 64.0 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.227 1.411 . . . . 0.0 113.197 174.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -89.23 -37.0 7.3 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 125.419 1.485 . . . . 0.0 112.955 173.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.0 t -66.82 -37.88 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.191 0.996 . . . . 0.0 111.622 174.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 50.8 m -78.42 124.89 28.62 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 121.528 -0.732 . . . . 0.0 111.735 176.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -79.14 149.91 33.13 Favored Glycine 0 CA--C 1.541 1.713 0 CA-C-O 119.013 -0.882 . . . . 0.0 112.51 177.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -77.56 -18.08 13.94 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.466 2.777 . . . . 0.0 113.058 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.5 p -152.39 20.97 0.64 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.496 1.518 . . . . 0.0 111.992 -174.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 75.1 p -160.93 161.93 31.85 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.67 1.588 . . . . 0.0 112.188 -169.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.228 0 C-N-CA 124.967 1.27 . . . . 0.0 112.942 179.493 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 CA--C 1.542 0.665 0 N-CA-C 110.756 -0.091 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.0 mt -80.27 -169.78 2.23 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.504 1.521 . . . . 0.0 112.849 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 m -114.47 159.5 36.61 Favored Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 127.561 2.344 . . . . 0.0 111.394 -176.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -60.45 -26.78 83.54 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.978 3.119 . . . . 0.0 112.986 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -83.85 -11.74 56.55 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -87.36 -51.2 6.08 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.617 1.167 . . . . 0.0 111.249 176.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.1 mt -58.43 -49.61 76.67 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.836 1.654 . . . . 0.0 111.037 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -58.75 -40.6 84.3 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.162 173.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.613 0 CA-C-N 119.088 0.858 . . . . 0.0 112.874 -179.261 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.438 0 N-CA-C 111.481 0.178 . . . . 0.0 111.481 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -170.21 150.1 3.59 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.212 1.405 . . . . 0.0 113.727 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.671 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -152.2 156.58 40.05 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.748 1.619 . . . . 0.0 110.75 176.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -115.06 148.55 38.75 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.568 1.147 . . . . 0.0 110.369 172.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -138.74 159.67 41.55 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.972 1.309 . . . . 0.0 111.953 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -140.02 149.11 42.79 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.734 1.614 . . . . 0.0 111.128 174.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -79.35 113.21 17.31 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.618 -0.676 . . . . 0.0 111.789 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -97.37 -164.16 31.98 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 124.863 1.221 . . . . 0.0 111.774 168.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 67.1 ttt-85 -58.27 -43.74 88.09 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.451 1.1 . . . . 0.0 113.23 -177.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -105.45 -4.36 21.45 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 -169.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 148.4 -164.56 29.03 Favored Glycine 0 N--CA 1.472 1.036 0 C-N-CA 125.664 1.602 . . . . 0.0 113.238 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -68.73 131.5 45.28 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.076 0.951 . . . . 0.0 111.819 172.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -128.75 141.71 51.23 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.138 1.375 . . . . 0.0 110.974 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -81.4 141.78 33.62 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.037 0.935 . . . . 0.0 111.93 -169.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -69.24 160.14 31.73 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.061 0.945 . . . . 0.0 113.013 169.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.11 148.96 51.03 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.516 0.726 . . . . 0.0 110.59 169.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -64.63 -20.89 66.55 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.27 -39.48 94.71 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.745 1.618 . . . . 0.0 111.811 169.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.4 m -95.51 -49.19 5.52 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 127.216 2.206 . . . . 0.0 112.698 -170.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.6 p -61.86 -30.04 70.59 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -174.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -26.22 68.36 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.53 0.732 . . . . 0.0 112.934 173.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -76.08 -39.9 54.33 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.698 0.681 . . . . 0.0 109.847 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.9 mt -66.69 -44.28 82.16 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.628 1.571 . . . . 0.0 110.731 176.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -63.48 -30.22 71.37 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.122 1.369 . . . . 0.0 112.883 175.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -80.76 -28.54 36.39 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.063 -1.023 . . . . 0.0 111.476 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.17 -46.08 75.05 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -173.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -70.85 -19.57 62.63 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.659 0.663 . . . . 0.0 111.84 174.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.4 t -81.67 -31.83 32.07 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.885 1.274 . . . . 0.0 112.373 175.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -73.01 -42.49 63.16 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.093 1.357 . . . . 0.0 111.602 173.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.01 -6.85 9.4 Favored Glycine 0 C--N 1.341 0.827 0 C-N-CA 125.1 1.333 . . . . 0.0 114.091 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.18 153.29 42.82 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.197 1.499 . . . . 0.0 112.759 175.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -96.21 -6.83 37.24 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.317 1.447 . . . . 0.0 113.285 -176.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -166.45 142.02 4.58 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.659 1.984 . . . . 0.0 110.038 178.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.8 t -128.29 -179.97 5.3 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.104 1.361 . . . . 0.0 111.533 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -130.6 146.7 52.16 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 126.128 1.771 . . . . 0.0 111.42 -173.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.3 ptt? -151.31 146.59 26.13 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.872 1.269 . . . . 0.0 112.103 -174.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.95 142.13 33.71 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.697 1.599 . . . . 0.0 109.877 176.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.18 -151.62 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.901 1.28 . . . . 0.0 111.862 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.02 -17.88 29.33 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.91 17.39 0.03 OUTLIER Glycine 0 CA--C 1.533 1.2 0 N-CA-C 116.406 1.322 . . . . 0.0 116.406 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -150.45 152.03 33.65 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.708 1.254 . . . . 0.0 112.155 -170.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.72 124.38 37.68 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 169.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -113.36 130.88 56.17 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.799 1.24 . . . . 0.0 111.224 171.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.8 t -86.56 118.8 33.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 C-N-CA 125.38 1.472 . . . . 0.0 107.056 171.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.66 108.87 21.19 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.929 1.292 . . . . 0.0 109.165 175.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -85.74 119.82 26.49 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 125.043 1.337 . . . . 0.0 110.268 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.2 mp -86.28 -18.98 30.6 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.801 1.24 . . . . 0.0 112.315 -175.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -73.83 -47.54 37.73 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.382 1.073 . . . . 0.0 112.072 -177.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -98.68 -9.5 24.55 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.494 1.517 . . . . 0.0 111.767 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 56.21 70.15 0.67 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.566 1.946 . . . . 0.0 110.839 -173.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.6 m -143.57 168.71 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 125.179 1.392 . . . . 0.0 111.529 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -126.07 153.06 44.99 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.654 1.581 . . . . 0.0 111.07 171.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -162.47 160.78 26.64 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.927 1.691 . . . . 0.0 112.304 175.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -73.5 147.59 43.92 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.227 -0.921 . . . . 0.0 111.112 171.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 72.3 mtp85 -51.34 -33.58 29.99 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -176.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -85.29 -9.77 57.29 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 113.944 1.091 . . . . 0.0 113.944 -178.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -102.58 121.82 43.16 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.221 1.409 . . . . 0.0 111.122 -174.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -93.78 -33.35 13.62 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.727 1.211 . . . . 0.0 113.709 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -96.81 -65.73 0.92 Allowed Glycine 0 N--CA 1.468 0.831 0 C-N-CA 125.197 1.379 . . . . 0.0 113.152 -172.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -68.21 128.45 36.61 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.927 0.891 . . . . 0.0 110.995 -171.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 32.4 ptt-85 -155.67 150.28 26.13 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.105 1.362 . . . . 0.0 111.733 -170.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 45.2 ttm105 -117.36 138.84 51.53 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 126.197 1.799 . . . . 0.0 109.735 -176.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -69.04 139.85 54.91 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -175.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.4 pt -126.41 168.28 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.287 1.435 . . . . 0.0 110.66 169.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -156.53 165.85 35.11 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.906 1.282 . . . . 0.0 113.228 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.2 mtp-105 -100.55 151.3 21.75 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.996 1.319 . . . . 0.0 109.104 165.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.87 -178.86 7.0 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.521 1.529 . . . . 0.0 111.235 174.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.2 mm -133.31 138.71 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 125.714 1.606 . . . . 0.0 109.506 -172.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.671 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.2 mp -86.17 140.43 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.746 0.818 . . . . 0.0 111.111 175.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -99.62 -16.59 18.17 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 -176.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 25.8 mm . . . . . 0 N--CA 1.484 1.263 0 C-N-CA 129.279 3.032 . . . . 0.0 112.157 176.626 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mt . . . . . 0 CA--C 1.539 0.555 0 N-CA-C 111.496 0.184 . . . . 0.0 111.496 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.9 mt -79.71 -177.97 6.15 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.827 1.251 . . . . 0.0 113.179 -176.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.8 m -95.19 157.93 35.61 Favored Pre-proline 0 CA--C 1.542 0.673 0 C-N-CA 126.406 1.883 . . . . 0.0 112.267 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -61.5 -23.86 77.3 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 124.111 3.207 . . . . 0.0 113.29 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -86.77 -11.34 51.31 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.511 1.124 . . . . 0.0 113.718 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -86.31 -51.41 6.26 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.604 1.162 . . . . 0.0 111.121 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 mt -62.13 -48.07 81.75 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.871 1.668 . . . . 0.0 110.877 -176.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -65.4 -31.19 72.16 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 176.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.59 0 CA-C-N 119.049 0.841 . . . . 0.0 112.907 174.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 111.532 0.197 . . . . 0.0 111.532 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -172.69 148.74 1.95 Allowed 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.19 1.396 . . . . 0.0 112.471 -175.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.639 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -155.17 151.17 27.88 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.013 1.325 . . . . 0.0 111.695 177.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 49.7 m95 -108.28 147.81 30.91 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.845 1.258 . . . . 0.0 109.697 169.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -136.63 161.33 36.2 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.879 1.272 . . . . 0.0 111.869 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -139.82 149.16 43.15 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.226 1.81 . . . . 0.0 111.021 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -77.12 133.6 38.95 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.483 0.658 . . . . 0.0 111.906 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -129.55 -168.16 12.27 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 126.369 1.938 . . . . 0.0 112.153 168.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -53.57 -42.67 67.8 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.306 1.442 . . . . 0.0 114.132 -171.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -106.51 -2.85 21.5 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 -172.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 146.15 -160.97 28.27 Favored Glycine 0 N--CA 1.471 1.023 0 C-N-CA 125.826 1.679 . . . . 0.0 113.203 178.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 93.9 m95 -70.51 136.47 49.41 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.044 0.938 . . . . 0.0 111.968 171.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -131.06 143.32 50.6 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.814 1.646 . . . . 0.0 110.481 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -86.07 141.87 29.13 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.59 0.756 . . . . 0.0 111.785 -169.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -69.25 154.34 42.21 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.65 0.78 . . . . 0.0 112.646 169.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -75.55 156.57 34.91 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.331 0.652 . . . . 0.0 110.855 170.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.94 -19.77 65.0 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -176.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -67.81 -33.93 75.76 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.812 0.845 . . . . 0.0 111.746 170.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.0 m -95.52 -50.19 5.08 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.987 2.115 . . . . 0.0 112.625 -170.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.4 p -63.12 -26.61 68.9 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -29.15 70.51 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 118.648 -0.691 . . . . 0.0 112.361 172.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -69.29 -39.17 78.49 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.429 1.013 . . . . 0.0 110.023 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.6 mt -69.9 -42.76 72.94 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.923 1.689 . . . . 0.0 111.0 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.45 -36.05 82.92 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.21 1.004 . . . . 0.0 112.908 172.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -74.27 -37.46 63.7 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 120.61 -1.306 . . . . 0.0 110.693 -177.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.34 -50.2 72.57 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.514 1.526 . . . . 0.0 114.431 -176.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.97 -24.47 66.06 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.895 0.77 . . . . 0.0 111.267 176.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.4 t -78.46 -32.83 48.6 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.673 1.189 . . . . 0.0 112.587 176.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -72.42 -41.99 65.59 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.983 1.313 . . . . 0.0 111.614 174.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.7 -7.1 8.96 Favored Glycine 0 C--N 1.34 0.8 0 C-N-CA 125.087 1.327 . . . . 0.0 113.968 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -65.67 150.36 48.61 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.116 1.458 . . . . 0.0 112.381 173.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -96.02 -3.94 44.01 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.246 1.419 . . . . 0.0 113.214 -176.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -166.89 141.28 3.96 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 126.502 1.921 . . . . 0.0 109.783 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 t -130.93 179.56 5.91 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.436 1.095 . . . . 0.0 112.356 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -127.87 146.69 50.54 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.77 1.628 . . . . 0.0 111.621 -170.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -154.87 147.61 24.38 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.842 1.257 . . . . 0.0 112.377 -173.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.8 144.01 31.69 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.917 1.687 . . . . 0.0 110.308 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.92 -150.72 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.171 1.389 . . . . 0.0 112.031 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.96 -17.33 23.67 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.78 13.45 0.03 OUTLIER Glycine 0 CA--C 1.534 1.254 0 N-CA-C 116.576 1.39 . . . . 0.0 116.576 178.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -147.46 157.47 43.59 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.999 1.4 . . . . 0.0 112.09 -169.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.29 124.62 43.01 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.769 1.227 . . . . 0.0 107.975 173.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -110.43 130.57 55.53 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 124.481 1.112 . . . . 0.0 111.631 170.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.2 t -88.09 115.9 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 C-N-CA 125.532 1.533 . . . . 0.0 106.87 169.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.57 113.15 24.81 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.219 1.408 . . . . 0.0 109.518 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -89.08 119.6 29.73 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.309 1.444 . . . . 0.0 110.6 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.6 mp -85.32 -9.38 57.72 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.727 1.611 . . . . 0.0 112.867 -173.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -93.86 -47.79 6.58 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.426 1.09 . . . . 0.0 111.666 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -88.22 -12.42 43.83 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.741 1.616 . . . . 0.0 112.093 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.0 mmt 55.53 59.42 3.9 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.506 1.922 . . . . 0.0 111.617 -174.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.8 m -139.54 163.37 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 124.548 1.139 . . . . 0.0 111.55 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -124.3 147.8 47.88 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.369 1.468 . . . . 0.0 111.13 171.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -157.04 161.54 39.52 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.737 1.615 . . . . 0.0 112.108 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -77.38 149.68 35.17 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.895 0.878 . . . . 0.0 110.502 175.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 69.3 mtp85 -53.01 -30.7 36.88 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 -171.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -92.81 -4.21 53.4 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -103.83 154.16 19.92 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.938 1.695 . . . . 0.0 112.058 -173.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -135.98 -32.94 0.86 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.773 1.629 . . . . 0.0 113.514 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.8 -57.21 1.64 Allowed Glycine 0 N--CA 1.47 0.938 0 C-N-CA 124.922 1.248 . . . . 0.0 112.322 -175.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -67.83 111.89 4.57 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.23 1.012 . . . . 0.0 109.712 174.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -151.46 143.31 23.79 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.73 1.612 . . . . 0.0 110.893 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -112.67 136.78 51.85 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.322 1.449 . . . . 0.0 109.568 -176.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -63.09 145.79 54.69 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.108 0.963 . . . . 0.0 113.201 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.3 pt -124.53 169.29 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.52 1.528 . . . . 0.0 110.01 168.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.7 pttt -155.24 167.79 29.2 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.864 1.266 . . . . 0.0 112.413 174.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -113.34 145.31 41.3 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.992 1.717 . . . . 0.0 109.766 169.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.79 178.5 9.58 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.006 1.323 . . . . 0.0 112.327 -177.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.6 mm -129.76 138.64 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 126.082 1.753 . . . . 0.0 109.86 -176.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.639 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.3 mp -88.61 140.76 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.763 0.825 . . . . 0.0 110.823 173.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -103.32 -16.0 15.78 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.9 mm . . . . . 0 N--CA 1.487 1.398 0 C-N-CA 128.847 2.859 . . . . 0.0 112.904 171.864 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.541 0.608 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.4 mt -92.32 -174.0 3.58 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.159 1.384 . . . . 0.0 112.487 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 m -103.93 158.87 30.99 Favored Pre-proline 0 CA--C 1.54 0.596 0 C-N-CA 126.837 2.055 . . . . 0.0 111.94 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -60.87 -25.23 80.94 Favored 'Trans proline' 0 CA--C 1.534 0.506 0 C-N-CA 123.983 3.122 . . . . 0.0 113.022 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -85.5 -11.05 55.17 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 176.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -86.95 -51.67 5.9 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.742 1.217 . . . . 0.0 110.997 174.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 mt -61.91 -47.83 83.18 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.859 1.663 . . . . 0.0 110.886 -176.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -62.77 -36.76 84.12 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 173.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.64 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.964 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.535 0.367 0 CA-C-O 120.573 0.225 . . . . 0.0 111.352 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -171.65 151.17 2.86 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.476 1.511 . . . . 0.0 111.899 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.741 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -151.13 147.36 26.96 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.504 1.522 . . . . 0.0 110.167 176.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 37.8 m95 -107.83 147.55 30.74 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.441 1.096 . . . . 0.0 110.429 174.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -138.81 154.83 48.5 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.833 1.253 . . . . 0.0 111.588 -178.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -135.46 148.84 49.4 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.075 1.35 . . . . 0.0 111.165 172.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -78.09 103.16 7.85 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 118.136 0.425 . . . . 0.0 110.075 173.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.48 -136.81 9.51 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 125.316 1.436 . . . . 0.0 112.846 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -58.53 -31.51 67.99 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 -172.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -144.74 -10.73 0.6 Allowed 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -173.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 166.53 -161.49 35.21 Favored Glycine 0 N--CA 1.471 0.98 0 C-N-CA 124.969 1.271 . . . . 0.0 112.596 -176.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -67.56 124.95 24.67 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.107 0.963 . . . . 0.0 112.049 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -124.73 137.36 54.34 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 125.212 1.405 . . . . 0.0 110.101 174.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -79.94 137.47 36.88 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.671 0.788 . . . . 0.0 111.011 -172.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -68.81 158.34 34.61 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.0 0.92 . . . . 0.0 112.796 170.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -74.15 161.24 30.18 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.46 0.704 . . . . 0.0 111.279 174.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -70.17 -19.52 63.19 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.135 0.974 . . . . 0.0 113.277 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -70.23 -37.66 75.04 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.846 0.858 . . . . 0.0 111.685 171.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 50.4 m -93.9 -50.11 5.49 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.289 1.835 . . . . 0.0 112.715 -169.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.1 p -61.81 -29.57 70.24 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -175.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -28.89 70.36 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 118.847 -0.597 . . . . 0.0 112.271 173.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -71.16 -38.43 72.19 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.342 0.974 . . . . 0.0 110.144 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.7 mt -68.66 -43.59 75.87 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.823 1.649 . . . . 0.0 110.812 178.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -65.19 -33.51 76.17 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.199 1.4 . . . . 0.0 113.09 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -81.05 -34.07 33.05 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.123 -0.986 . . . . 0.0 111.469 -177.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.13 -50.09 74.7 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.103 1.361 . . . . 0.0 114.008 -176.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -68.69 -22.47 64.36 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 118.946 0.794 . . . . 0.0 112.476 175.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 t -78.95 -28.74 43.72 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.534 1.133 . . . . 0.0 112.428 175.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -77.33 -42.17 37.71 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.02 1.328 . . . . 0.0 111.961 174.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.73 -7.63 8.3 Favored Glycine 0 N--CA 1.469 0.895 0 C-N-CA 125.062 1.315 . . . . 0.0 114.129 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -66.0 150.85 48.02 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 118.95 1.375 . . . . 0.0 112.27 171.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -98.47 0.22 44.73 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.931 1.292 . . . . 0.0 113.556 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -170.51 152.29 3.89 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.721 2.008 . . . . 0.0 109.774 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 t -143.75 172.45 12.81 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.368 1.467 . . . . 0.0 111.153 -175.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -121.96 145.49 48.07 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.068 1.347 . . . . 0.0 111.519 -172.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.5 ptt? -151.18 147.96 27.66 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.04 1.336 . . . . 0.0 111.903 -173.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.05 141.35 36.36 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 125.716 1.607 . . . . 0.0 109.825 177.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -119.2 -152.26 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.691 1.196 . . . . 0.0 111.779 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.76 -15.78 22.76 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 115.594 1.702 . . . . 0.0 115.594 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.73 14.82 0.03 OUTLIER Glycine 0 CA--C 1.533 1.195 0 N-CA-C 116.747 1.459 . . . . 0.0 116.747 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -149.53 152.38 35.47 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.869 1.334 . . . . 0.0 112.179 -169.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.49 125.42 36.22 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.55 1.14 . . . . 0.0 108.335 169.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -117.52 138.19 52.06 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.476 1.111 . . . . 0.0 111.603 170.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.6 t -92.97 122.48 44.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 126.03 1.732 . . . . 0.0 107.174 173.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.86 119.06 38.13 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.163 1.385 . . . . 0.0 109.692 175.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -103.17 117.44 34.53 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.333 1.853 . . . . 0.0 111.139 -173.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.5 mt -77.24 -20.99 54.46 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.46 1.504 . . . . 0.0 113.05 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -67.1 -51.08 58.66 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.969 0.804 . . . . 0.0 112.391 -178.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -102.01 -8.81 21.16 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.979 1.712 . . . . 0.0 111.972 -176.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 56.32 63.33 2.02 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.847 2.059 . . . . 0.0 111.472 -171.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 26.7 m -139.42 171.59 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 C-N-CA 124.604 1.162 . . . . 0.0 111.317 178.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -144.28 141.7 29.98 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.092 0.957 . . . . 0.0 111.694 174.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -157.26 167.18 31.07 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.945 1.698 . . . . 0.0 113.983 -169.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -72.03 143.97 48.95 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 121.234 -0.916 . . . . 0.0 111.679 170.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 72.5 mtp85 -47.37 -38.2 12.63 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.175 1.39 . . . . 0.0 114.63 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -99.15 -8.44 25.14 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -178.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -122.48 78.59 1.53 Allowed 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 122.422 1.106 . . . . 0.0 111.644 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -66.18 -15.45 63.15 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 115.25 -0.887 . . . . 0.0 112.663 172.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -87.5 -5.78 78.39 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.756 1.646 . . . . 0.0 114.365 174.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -117.8 87.98 2.82 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.865 1.332 . . . . 0.0 109.701 176.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -132.72 149.81 52.24 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 113.911 -1.495 . . . . 0.0 113.271 -169.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -125.13 140.44 52.88 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.665 1.986 . . . . 0.0 109.808 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -62.4 142.81 57.66 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.256 1.022 . . . . 0.0 112.477 175.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.1 pt -125.77 167.21 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.858 1.263 . . . . 0.0 111.083 170.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 43.9 pttt -155.52 167.35 30.67 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.377 1.471 . . . . 0.0 113.228 175.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.2 mtp-105 -105.95 152.07 23.78 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.479 1.512 . . . . 0.0 109.63 166.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.84 177.53 10.02 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.611 1.564 . . . . 0.0 111.138 172.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.8 mm -128.7 137.6 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.125 1.37 . . . . 0.0 110.046 -174.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.741 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.4 mp -88.49 141.45 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.066 0.946 . . . . 0.0 111.001 174.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -103.38 -17.17 15.38 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.4 mm . . . . . 0 N--CA 1.487 1.424 0 C-N-CA 128.557 2.743 . . . . 0.0 112.95 172.15 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 111.681 0.252 . . . . 0.0 111.681 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.2 mt -93.74 -174.68 3.52 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.137 1.375 . . . . 0.0 112.587 -176.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 m -104.47 159.14 30.31 Favored Pre-proline 0 CA--C 1.542 0.647 0 C-N-CA 127.106 2.162 . . . . 0.0 111.793 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -61.08 -24.95 80.44 Favored 'Trans proline' 0 CA--C 1.535 0.532 0 C-N-CA 124.014 3.143 . . . . 0.0 113.123 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -86.05 -11.68 52.18 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.561 1.144 . . . . 0.0 113.999 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -85.41 -51.49 6.51 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.461 1.104 . . . . 0.0 111.148 176.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.62 -47.41 85.54 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.768 1.627 . . . . 0.0 110.514 -176.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -61.84 -38.13 87.06 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.36 0.664 . . . . 0.0 112.476 173.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.556 0 CA-C-N 119.064 0.847 . . . . 0.0 112.807 178.585 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.433 0 N-CA-C 111.526 0.195 . . . . 0.0 111.526 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -171.15 149.38 2.84 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.213 1.405 . . . . 0.0 114.037 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.693 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -153.12 155.67 37.2 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.843 1.657 . . . . 0.0 110.686 177.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.7 m95 -113.54 149.72 34.0 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.29 1.036 . . . . 0.0 110.685 169.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -137.18 160.18 39.74 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.061 1.344 . . . . 0.0 111.804 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -133.57 148.31 51.6 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.928 1.691 . . . . 0.0 111.151 173.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -79.93 112.21 17.0 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.862 -0.524 . . . . 0.0 110.145 175.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -98.21 -161.15 30.47 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.803 1.192 . . . . 0.0 112.021 169.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 67.0 ttt-85 -60.52 -43.76 96.77 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.412 1.085 . . . . 0.0 113.098 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -105.73 -6.26 19.26 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -169.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.1 -161.89 28.83 Favored Glycine 0 N--CA 1.472 1.078 0 C-N-CA 125.665 1.602 . . . . 0.0 113.023 178.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -68.17 133.2 48.51 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.906 0.882 . . . . 0.0 112.344 172.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -130.25 139.7 50.75 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.47 1.508 . . . . 0.0 110.391 176.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -83.57 139.67 32.71 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.616 0.766 . . . . 0.0 111.742 -169.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -71.19 154.43 41.69 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.943 0.897 . . . . 0.0 112.281 169.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -64.99 157.25 28.79 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.298 1.039 . . . . 0.0 112.238 174.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -65.47 -18.9 65.67 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.169 0.987 . . . . 0.0 112.77 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 -90.39 -15.23 31.41 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.773 1.229 . . . . 0.0 112.519 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 77.0 m -105.59 -50.26 3.24 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.787 1.635 . . . . 0.0 111.333 -177.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.7 p -59.41 -29.12 67.51 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -29.29 70.48 Favored 'General case' 0 C--N 1.342 0.251 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 174.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.82 -39.33 69.87 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.023 0.829 . . . . 0.0 109.871 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.7 mt -68.51 -45.17 73.02 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.646 1.579 . . . . 0.0 110.677 178.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.2 tp10 -63.88 -31.72 72.99 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.168 1.387 . . . . 0.0 112.679 176.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -80.64 -38.65 28.8 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.221 1.008 . . . . 0.0 110.932 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.23 -50.08 75.06 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.958 1.303 . . . . 0.0 114.14 -176.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -68.63 -19.55 64.43 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 118.839 0.745 . . . . 0.0 111.957 176.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 t -83.29 -31.11 27.07 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.809 1.244 . . . . 0.0 112.605 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -73.31 -41.82 63.08 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.126 1.37 . . . . 0.0 111.806 175.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.69 -7.46 8.34 Favored Glycine 0 C--N 1.34 0.781 0 C-N-CA 125.044 1.307 . . . . 0.0 114.158 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -65.85 151.13 47.38 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.077 1.438 . . . . 0.0 112.346 172.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -99.16 0.35 43.24 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.264 1.426 . . . . 0.0 113.19 -175.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -171.39 147.09 2.38 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 126.904 2.082 . . . . 0.0 109.551 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.0 t -137.08 174.48 10.57 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.086 0.955 . . . . 0.0 112.441 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -121.16 145.04 48.23 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 126.07 1.748 . . . . 0.0 111.44 -171.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.4 ptt? -153.83 149.27 27.21 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.908 1.283 . . . . 0.0 112.576 -172.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.31 143.42 33.0 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.955 1.702 . . . . 0.0 110.294 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.93 -152.66 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 125.088 1.355 . . . . 0.0 112.003 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.26 -16.09 19.38 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.55 15.35 0.03 OUTLIER Glycine 0 CA--C 1.533 1.196 0 N-CA-C 116.74 1.456 . . . . 0.0 116.74 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -149.74 153.11 36.38 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.801 1.301 . . . . 0.0 112.069 -169.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.54 124.26 38.46 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.428 1.091 . . . . 0.0 108.122 169.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -113.45 134.62 54.56 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.777 1.231 . . . . 0.0 111.463 172.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.6 t -86.19 118.39 32.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 169.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.25 111.45 22.26 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.222 1.009 . . . . 0.0 108.784 170.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -85.88 110.85 19.7 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 125.216 1.406 . . . . 0.0 110.083 176.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.4 mp -83.23 -11.35 57.9 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.076 1.351 . . . . 0.0 112.145 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -70.45 -54.93 10.34 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.126 0.876 . . . . 0.0 111.973 174.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -101.58 -6.08 24.31 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.623 1.569 . . . . 0.0 112.325 -172.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.7 mmt 58.29 61.55 2.26 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.545 1.938 . . . . 0.0 111.24 -173.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.9 m -137.62 172.91 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.326 1.051 . . . . 0.0 110.925 174.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.0 142.85 27.94 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.155 0.982 . . . . 0.0 111.72 176.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -155.36 162.75 40.75 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.336 1.454 . . . . 0.0 113.88 -172.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -68.98 141.73 54.84 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.6 1.16 . . . . 0.0 111.249 171.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.6 mtp-105 -54.87 -31.27 59.51 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 114.36 1.245 . . . . 0.0 114.36 -172.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -81.55 -17.17 49.36 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -172.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -156.67 124.55 5.53 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 122.607 1.194 . . . . 0.0 112.871 177.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -76.95 -15.93 59.51 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.531 1.132 . . . . 0.0 114.038 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.55 -22.44 77.28 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 125.343 1.449 . . . . 0.0 113.6 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.6 mmm-85 -88.74 61.31 5.95 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.075 1.35 . . . . 0.0 110.206 175.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 23.0 ptt-85 -111.83 152.47 27.88 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.125 1.37 . . . . 0.0 114.26 -172.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -132.29 143.47 49.91 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 127.271 2.228 . . . . 0.0 109.796 175.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.69 148.55 46.16 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.003 1.321 . . . . 0.0 113.396 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 31.6 pt -131.23 169.92 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.189 1.396 . . . . 0.0 111.337 170.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -158.17 166.16 33.13 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.983 1.313 . . . . 0.0 113.198 174.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.3 mtp-105 -100.8 149.13 24.15 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.185 1.394 . . . . 0.0 108.922 165.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -151.84 -179.89 7.85 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.329 1.451 . . . . 0.0 111.459 174.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.4 mm -132.88 137.17 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 C-N-CA 125.644 1.578 . . . . 0.0 109.735 -171.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.693 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.2 mp -87.56 139.86 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.064 0.946 . . . . 0.0 110.891 176.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -103.62 -15.46 15.79 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 -178.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 24.6 mm . . . . . 0 N--CA 1.485 1.307 0 C-N-CA 129.278 3.031 . . . . 0.0 111.866 177.385 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 CA--C 1.542 0.647 0 N-CA-C 110.657 -0.127 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.2 mt -88.11 -165.73 1.4 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.924 1.69 . . . . 0.0 112.844 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.3 m -114.41 158.35 40.17 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 127.559 2.343 . . . . 0.0 111.369 -177.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -61.24 -24.95 79.88 Favored 'Trans proline' 0 CA--C 1.535 0.57 0 C-N-CA 124.092 3.195 . . . . 0.0 113.216 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -86.82 -11.73 50.05 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.488 1.115 . . . . 0.0 113.96 176.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -85.8 -51.28 6.52 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.394 1.078 . . . . 0.0 111.274 177.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.2 mt -58.86 -49.67 76.87 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.864 1.665 . . . . 0.0 110.577 -177.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -64.43 -34.06 77.31 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.65 0.78 . . . . 0.0 112.022 177.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 0.536 0 CA-C-N 118.891 0.769 . . . . 0.0 112.222 176.494 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.539 0.534 0 CA-C-O 120.517 0.199 . . . . 0.0 111.496 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -170.8 150.77 3.28 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.384 1.474 . . . . 0.0 112.349 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.662 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -152.99 156.73 39.39 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.268 1.427 . . . . 0.0 111.216 176.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -113.59 147.32 38.25 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 124.917 1.287 . . . . 0.0 110.51 172.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -138.2 158.28 44.61 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.976 1.31 . . . . 0.0 112.064 -178.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -140.47 152.87 45.97 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.782 1.633 . . . . 0.0 111.06 175.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -78.87 118.96 21.39 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.639 -0.663 . . . . 0.0 111.748 178.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -106.42 -151.91 19.16 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.767 1.651 . . . . 0.0 112.604 170.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -66.47 -39.07 88.59 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.425 1.09 . . . . 0.0 113.821 -171.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -116.05 -6.67 11.95 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -171.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 155.17 -159.91 29.42 Favored Glycine 0 N--CA 1.472 1.034 0 C-N-CA 125.357 1.456 . . . . 0.0 113.214 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 92.8 m95 -71.06 132.04 44.53 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.17 0.988 . . . . 0.0 111.952 173.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 71.2 m95 -130.61 144.21 51.27 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.213 1.405 . . . . 0.0 110.957 177.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -81.74 142.0 33.04 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.846 0.858 . . . . 0.0 112.3 -169.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -69.28 159.92 32.18 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.1 0.96 . . . . 0.0 113.028 169.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -67.6 149.54 49.96 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.963 0.905 . . . . 0.0 111.736 171.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -67.27 -19.45 65.5 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.759 1.224 . . . . 0.0 113.488 -173.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -93.32 -12.42 30.07 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.019 0.928 . . . . 0.0 111.822 175.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.9 m -96.42 -52.71 3.86 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.297 1.439 . . . . 0.0 111.371 175.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.9 p -58.01 -31.99 67.5 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.108 0.963 . . . . 0.0 113.306 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -25.93 68.39 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.723 0.809 . . . . 0.0 112.728 176.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -76.13 -35.24 59.35 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.571 0.623 . . . . 0.0 110.377 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.8 mt -71.72 -43.13 66.41 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.797 1.639 . . . . 0.0 110.407 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -62.58 -31.23 72.01 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.665 1.586 . . . . 0.0 113.019 173.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -82.32 -26.47 32.99 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.11 -0.994 . . . . 0.0 111.648 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.29 -48.0 77.33 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -174.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -69.28 -21.43 63.88 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.709 -0.62 . . . . 0.0 112.323 174.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.3 t -80.06 -27.14 39.4 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.962 1.305 . . . . 0.0 112.556 174.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -78.32 -36.27 46.59 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.986 1.314 . . . . 0.0 112.235 172.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.23 -7.34 14.49 Favored Glycine 0 C--N 1.342 0.9 0 C-N-CA 125.313 1.435 . . . . 0.0 113.838 178.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.73 155.38 38.25 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 118.973 1.387 . . . . 0.0 112.78 172.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.9 pttt -99.26 -2.53 36.34 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.014 1.326 . . . . 0.0 113.862 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -167.4 151.22 6.5 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 126.024 1.73 . . . . 0.0 110.877 178.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.3 t -144.24 177.22 8.76 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.121 1.768 . . . . 0.0 110.791 -173.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -127.11 146.35 50.41 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 125.654 1.581 . . . . 0.0 111.923 -170.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.0 ptt? -152.83 149.87 28.75 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.286 1.435 . . . . 0.0 112.205 -176.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.96 144.21 31.83 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.9 1.68 . . . . 0.0 110.134 178.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.99 -151.99 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.967 1.307 . . . . 0.0 111.887 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.65 -16.22 24.76 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.92 14.93 0.03 OUTLIER Glycine 0 CA--C 1.533 1.19 0 N-CA-C 116.727 1.451 . . . . 0.0 116.727 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -148.75 154.04 39.02 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.938 1.369 . . . . 0.0 111.989 -170.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.38 124.29 36.32 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.477 1.111 . . . . 0.0 108.301 169.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -112.05 129.87 56.06 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.566 1.146 . . . . 0.0 111.447 170.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 46.4 t -84.66 121.0 36.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 C-N-CA 125.854 1.662 . . . . 0.0 106.852 168.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.74 119.16 37.69 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.91 1.284 . . . . 0.0 109.597 175.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -101.75 119.77 39.31 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.726 1.61 . . . . 0.0 111.145 -174.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.3 mt -77.73 -21.33 52.03 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.055 1.342 . . . . 0.0 113.032 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -66.33 -56.71 9.8 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.987 0.812 . . . . 0.0 111.451 -178.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -100.87 -10.26 20.85 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.92 1.688 . . . . 0.0 112.147 -173.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 57.39 67.65 0.95 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.38 1.872 . . . . 0.0 111.093 -174.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.1 m -140.14 166.3 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 125.746 1.619 . . . . 0.0 111.107 174.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -120.76 149.31 42.74 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.837 1.655 . . . . 0.0 110.251 170.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -163.03 162.24 25.82 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.453 1.501 . . . . 0.0 113.164 176.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.5 mtm-85 -73.3 149.51 42.62 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.032 -1.043 . . . . 0.0 112.076 174.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -56.46 -26.46 53.99 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 175.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -89.57 -11.42 42.79 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -177.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -157.6 123.41 4.67 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.572 1.078 . . . . 0.0 112.835 -174.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 57.3 p-80 -90.7 -17.16 27.25 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.99 1.316 . . . . 0.0 113.27 174.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.59 -18.4 78.54 Favored Glycine 0 N--CA 1.473 1.136 0 C-N-CA 125.709 1.624 . . . . 0.0 113.756 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -109.49 97.93 7.41 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.383 1.473 . . . . 0.0 109.345 169.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -134.03 148.13 51.04 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.511 1.524 . . . . 0.0 112.294 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -123.72 144.71 49.5 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.763 1.625 . . . . 0.0 109.958 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -68.09 140.44 56.24 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.326 1.051 . . . . 0.0 113.083 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.7 pt -128.02 167.56 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.085 1.354 . . . . 0.0 110.81 170.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -155.98 165.85 35.22 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.079 1.352 . . . . 0.0 113.028 175.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.3 mtp-105 -102.45 152.18 21.43 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.162 1.385 . . . . 0.0 109.381 166.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.34 -179.67 7.75 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.402 1.481 . . . . 0.0 111.608 175.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 27.7 mm -130.04 139.18 52.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 126.007 1.723 . . . . 0.0 109.057 -176.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.662 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.2 mp -83.37 139.52 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.207 176.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -96.87 -21.91 17.21 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.162 1.385 . . . . 0.0 114.587 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.7 mm . . . . . 0 N--CA 1.485 1.277 0 C-N-CA 129.441 3.096 . . . . 0.0 111.793 177.178 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.541 0.626 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.0 mt -90.35 -175.04 4.36 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.962 1.305 . . . . 0.0 112.571 -176.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.9 m -102.01 158.35 31.95 Favored Pre-proline 0 CA--C 1.541 0.61 0 C-N-CA 126.677 1.991 . . . . 0.0 111.963 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -60.86 -25.05 80.57 Favored 'Trans proline' 0 CA--C 1.534 0.503 0 C-N-CA 123.879 3.053 . . . . 0.0 113.098 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -86.38 -11.38 52.17 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.495 1.118 . . . . 0.0 113.961 177.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -86.29 -51.15 6.43 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.679 1.192 . . . . 0.0 110.899 173.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.61 -50.61 71.87 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.526 1.53 . . . . 0.0 110.584 -176.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -60.49 -34.64 74.36 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 174.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.624 0 CA-C-N 118.963 0.801 . . . . 0.0 112.39 177.341 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.468 0.474 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -171.34 153.48 3.61 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.067 1.747 . . . . 0.0 112.562 178.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.676 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -154.5 156.31 36.45 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.139 1.775 . . . . 0.0 110.474 176.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -108.78 151.45 26.21 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.192 0.997 . . . . 0.0 111.197 170.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -138.54 158.34 44.43 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.666 1.586 . . . . 0.0 111.807 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -134.63 147.04 50.09 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.585 1.554 . . . . 0.0 111.71 175.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -72.75 106.19 4.63 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 123.449 0.699 . . . . 0.0 109.753 172.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.96 -170.47 36.81 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 124.977 1.275 . . . . 0.0 111.495 169.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.3 ttm105 -73.49 -23.64 60.08 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -171.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -111.47 -7.89 14.31 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 125.402 1.481 . . . . 0.0 114.809 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.05 -167.73 30.05 Favored Glycine 0 N--CA 1.473 1.126 0 C-N-CA 126.079 1.8 . . . . 0.0 113.178 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -66.34 128.89 37.92 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.605 0.762 . . . . 0.0 111.73 172.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 44.0 m95 -127.23 142.95 51.35 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.002 1.321 . . . . 0.0 111.187 176.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -81.16 140.01 35.24 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.534 0.734 . . . . 0.0 111.609 -171.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -71.74 155.41 40.49 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.906 0.882 . . . . 0.0 112.726 169.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -66.77 155.55 37.86 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.657 1.183 . . . . 0.0 112.183 172.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -67.16 -22.26 65.77 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.723 1.209 . . . . 0.0 113.306 -176.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -92.32 -13.33 30.45 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.945 0.898 . . . . 0.0 112.197 176.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.9 m -95.97 -53.44 3.67 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.116 1.367 . . . . 0.0 111.228 176.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.0 p -58.86 -30.74 67.95 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -28.87 70.14 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 118.861 -0.59 . . . . 0.0 112.432 174.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -71.83 -37.98 70.23 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.112 0.869 . . . . 0.0 110.106 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.9 mt -69.24 -42.41 75.68 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.741 1.616 . . . . 0.0 110.936 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -70.17 -26.43 63.91 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.043 0.937 . . . . 0.0 113.127 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -82.61 -36.38 26.17 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 120.457 -1.402 . . . . 0.0 111.393 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.94 -51.14 70.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.477 1.511 . . . . 0.0 114.002 -177.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -68.49 -23.98 64.63 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 118.608 0.64 . . . . 0.0 111.988 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.3 t -76.26 -30.11 57.72 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.648 1.179 . . . . 0.0 112.305 175.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -75.87 -41.36 52.42 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.502 1.121 . . . . 0.0 111.976 174.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 126.39 -7.55 7.52 Favored Glycine 0 N--CA 1.469 0.879 0 C-N-CA 125.216 1.389 . . . . 0.0 114.352 177.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -66.93 151.22 48.0 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.024 1.412 . . . . 0.0 112.292 171.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -97.63 -1.24 44.15 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.743 1.217 . . . . 0.0 113.727 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -169.87 153.35 4.79 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.458 1.903 . . . . 0.0 109.676 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.1 t -143.6 164.93 29.0 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.057 1.343 . . . . 0.0 111.298 -175.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -113.05 142.06 46.16 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 125.203 1.401 . . . . 0.0 110.832 -176.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 14.7 ptt? -144.81 144.63 31.25 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.84 1.256 . . . . 0.0 111.902 -173.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.65 141.5 33.43 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 125.59 1.556 . . . . 0.0 109.628 175.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.58 -153.7 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.889 1.275 . . . . 0.0 111.477 -178.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.08 -15.51 14.31 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.23 16.55 0.03 OUTLIER Glycine 0 CA--C 1.535 1.296 0 N-CA-C 116.908 1.523 . . . . 0.0 116.908 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -149.91 155.58 40.26 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 118.965 1.383 . . . . 0.0 111.902 -169.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.71 124.35 43.49 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 171.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -118.48 138.92 52.16 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 124.479 1.112 . . . . 0.0 111.315 172.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.0 t -91.77 128.69 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 125.504 1.522 . . . . 0.0 107.181 170.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.73 119.99 40.94 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.538 1.535 . . . . 0.0 109.759 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -106.34 121.08 43.5 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.17 1.788 . . . . 0.0 111.329 -172.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.2 mt -80.89 -20.89 41.22 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.931 1.693 . . . . 0.0 113.288 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -68.02 -50.7 53.86 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.995 0.816 . . . . 0.0 112.026 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -101.72 -10.89 19.57 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.942 1.697 . . . . 0.0 112.14 -174.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.1 mmt 57.87 68.86 0.79 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.959 2.104 . . . . 0.0 111.344 -171.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 26.9 m -147.81 162.77 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 124.279 1.032 . . . . 0.0 112.319 -175.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.38 148.71 51.33 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.436 1.495 . . . . 0.0 112.094 173.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -162.1 162.81 28.77 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.953 1.701 . . . . 0.0 112.986 -173.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.3 mtp-105 -80.74 146.05 31.21 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.301 1.041 . . . . 0.0 111.081 170.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.2 mtp-105 -52.76 -38.35 60.86 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -169.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -94.6 -4.41 47.85 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.757 1.223 . . . . 0.0 113.723 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -102.69 31.39 4.15 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.282 1.833 . . . . 0.0 111.736 -173.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 35.4 p80 -56.7 -20.01 19.57 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 116.068 1.877 . . . . 0.0 116.068 -169.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -76.98 -5.54 84.9 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 125.768 1.652 . . . . 0.0 114.789 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 74.8 ttt-85 -144.41 141.07 29.41 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.068 1.747 . . . . 0.0 111.062 -175.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -162.91 157.92 21.79 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.496 1.119 . . . . 0.0 112.989 -169.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -130.75 136.35 48.66 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.661 1.584 . . . . 0.0 110.528 -173.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -58.45 147.64 30.94 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 -172.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 5.0 pt -130.29 165.48 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 125.835 1.654 . . . . 0.0 110.107 168.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.5 pttt -155.95 170.5 21.99 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.678 1.191 . . . . 0.0 113.123 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.7 mtt85 -104.37 152.88 21.75 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.112 1.365 . . . . 0.0 109.494 166.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -149.02 179.44 7.87 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.546 1.539 . . . . 0.0 111.233 171.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.0 mm -128.22 137.76 56.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.268 1.427 . . . . 0.0 110.366 -174.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.676 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.1 mp -90.5 141.21 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.078 0.951 . . . . 0.0 110.203 171.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -100.96 -24.95 14.24 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.9 mm . . . . . 0 N--CA 1.487 1.413 0 C-N-CA 128.693 2.797 . . . . 0.0 112.394 176.602 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.542 0.655 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.9 mt -88.67 -175.69 5.01 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.848 1.259 . . . . 0.0 112.583 -176.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.9 m -98.14 157.67 34.09 Favored Pre-proline 0 CA--C 1.54 0.591 0 C-N-CA 126.542 1.937 . . . . 0.0 112.008 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -61.07 -24.42 79.4 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 123.952 3.101 . . . . 0.0 113.108 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -86.8 -11.44 50.96 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.528 1.131 . . . . 0.0 113.896 177.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -86.56 -51.28 6.26 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.763 1.225 . . . . 0.0 110.937 173.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mt -61.16 -50.82 71.62 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 125.566 1.546 . . . . 0.0 110.753 -177.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -61.19 -31.54 71.29 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 175.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.567 0 CA-C-N 119.019 0.827 . . . . 0.0 112.451 176.139 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.469 0.479 0 N-CA-C 112.096 0.406 . . . . 0.0 112.096 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -171.41 152.73 3.35 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.983 1.713 . . . . 0.0 112.536 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.706 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -153.24 152.74 31.52 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.827 1.651 . . . . 0.0 110.728 177.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -108.26 149.51 28.51 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.791 1.236 . . . . 0.0 110.578 173.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -139.66 150.01 44.4 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.731 1.612 . . . . 0.0 112.027 -177.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -135.87 150.98 49.56 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.384 1.474 . . . . 0.0 112.072 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -75.96 113.05 13.03 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 120.776 0.322 . . . . 0.0 110.881 172.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.24 -146.85 20.68 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 125.369 1.461 . . . . 0.0 111.955 170.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -76.08 -42.57 46.89 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.747 0.819 . . . . 0.0 112.44 178.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -106.85 -8.94 16.52 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 -170.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 155.96 -159.48 29.36 Favored Glycine 0 N--CA 1.473 1.166 0 C-N-CA 124.847 1.213 . . . . 0.0 113.315 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -76.17 131.11 39.16 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.164 0.986 . . . . 0.0 111.644 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -130.81 143.32 50.66 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.962 1.305 . . . . 0.0 111.268 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -83.08 141.15 32.22 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.615 0.766 . . . . 0.0 111.143 -174.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -70.51 162.83 28.07 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 169.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -76.13 154.35 35.55 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.268 0.627 . . . . 0.0 110.202 169.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -68.24 -19.62 64.75 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.407 1.083 . . . . 0.0 113.6 -177.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -67.76 -37.06 81.61 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.946 0.899 . . . . 0.0 111.416 170.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.1 m -90.3 -52.62 4.84 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.521 1.928 . . . . 0.0 112.431 -173.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 85.2 p -60.43 -30.68 69.79 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.332 0.969 . . . . 0.0 113.528 -173.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -29.74 71.0 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-O 118.754 -0.641 . . . . 0.0 112.233 175.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -69.63 -35.55 75.33 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.278 0.945 . . . . 0.0 110.362 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.9 mt -74.57 -42.8 58.11 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.864 1.666 . . . . 0.0 110.693 -177.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -69.52 -26.95 64.77 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.944 0.898 . . . . 0.0 113.248 174.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -80.56 -35.71 33.98 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 120.593 -1.317 . . . . 0.0 111.432 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.83 -52.33 65.52 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.235 1.414 . . . . 0.0 114.336 -176.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -68.17 -23.22 64.83 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.678 0.672 . . . . 0.0 112.055 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 t -76.53 -31.2 57.5 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.699 1.2 . . . . 0.0 112.31 174.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -74.54 -41.26 60.9 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.621 1.169 . . . . 0.0 111.846 174.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 126.08 -7.57 7.66 Favored Glycine 0 N--CA 1.469 0.852 0 C-N-CA 125.083 1.325 . . . . 0.0 114.218 178.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -66.73 150.84 48.51 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.062 1.431 . . . . 0.0 112.223 171.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -97.88 -1.3 43.3 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.959 1.304 . . . . 0.0 113.517 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -167.86 150.17 5.63 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.09 1.756 . . . . 0.0 110.663 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.4 t -140.84 -179.9 6.33 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.681 1.592 . . . . 0.0 110.91 -176.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -130.71 145.13 51.86 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 125.077 1.351 . . . . 0.0 111.614 -170.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -153.62 151.35 29.62 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.829 1.251 . . . . 0.0 112.093 -174.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.34 142.33 34.75 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.962 1.705 . . . . 0.0 109.989 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -119.35 -150.93 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.874 1.27 . . . . 0.0 111.712 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.89 -15.84 24.6 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.45 13.85 0.03 OUTLIER Glycine 0 CA--C 1.534 1.269 0 N-CA-C 116.847 1.499 . . . . 0.0 116.847 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -149.18 150.24 32.31 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.909 1.355 . . . . 0.0 112.321 -169.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.41 125.43 35.55 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.656 1.183 . . . . 0.0 108.462 169.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -117.39 134.82 54.38 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.845 1.258 . . . . 0.0 112.015 173.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 42.1 t -90.65 108.62 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 125.658 1.583 . . . . 0.0 108.402 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.491 ' HB2' HE22 ' A' ' 80' ' ' GLN . . . -81.34 100.14 9.05 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.971 1.708 . . . . 0.0 111.284 178.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -89.31 116.78 27.78 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.931 1.292 . . . . 0.0 111.119 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.5 mt -77.19 -22.5 52.29 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.317 1.447 . . . . 0.0 112.76 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -67.62 -48.28 67.24 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 118.954 0.797 . . . . 0.0 112.321 -176.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -100.24 -11.14 20.63 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.09 1.756 . . . . 0.0 111.495 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 58.76 66.84 1.0 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.889 2.076 . . . . 0.0 111.052 -170.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.2 m -147.24 157.73 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -174.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.491 HE22 ' HB2' ' A' ' 73' ' ' ALA . 47.5 mm-40 -114.02 140.15 48.68 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 126.553 1.941 . . . . 0.0 111.451 172.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -153.45 153.84 33.27 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.924 1.29 . . . . 0.0 112.209 171.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -71.95 140.72 49.31 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.921 0.888 . . . . 0.0 110.419 174.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 72.6 mtp85 -47.66 -36.55 11.2 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 -173.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -97.13 -4.73 38.78 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.673 1.189 . . . . 0.0 114.201 -177.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -102.79 109.34 20.89 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.767 1.227 . . . . 0.0 111.267 -174.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -93.11 -22.42 19.1 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.818 1.247 . . . . 0.0 113.236 177.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.05 -12.21 83.59 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.937 1.256 . . . . 0.0 115.628 -171.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 -140.51 165.2 28.1 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.301 1.441 . . . . 0.0 113.787 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -165.49 157.17 14.61 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 127.291 2.236 . . . . 0.0 112.215 169.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -118.06 127.09 53.46 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.165 1.786 . . . . 0.0 110.604 177.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.2 145.68 55.5 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.878 1.271 . . . . 0.0 113.34 179.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.1 pt -131.88 167.02 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.287 1.435 . . . . 0.0 111.609 177.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -155.63 166.52 33.26 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.316 1.446 . . . . 0.0 112.467 -178.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -105.1 154.07 20.66 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.978 1.311 . . . . 0.0 111.028 168.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.81 -179.18 6.61 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.631 1.572 . . . . 0.0 110.97 169.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.8 mm -128.5 137.95 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 125.813 1.645 . . . . 0.0 109.963 -174.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.706 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.1 mp -90.28 140.88 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 123.97 0.908 . . . . 0.0 110.167 171.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -101.78 -23.39 14.2 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -178.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 25.2 mm . . . . . 0 N--CA 1.488 1.469 0 C-N-CA 128.574 2.749 . . . . 0.0 112.159 176.65 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mt . . . . . 0 CA--C 1.539 0.536 0 N-CA-C 111.658 0.244 . . . . 0.0 111.658 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.0 mt -78.57 179.37 7.13 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 123.03 1.395 . . . . 0.0 113.366 -174.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.9 m -87.32 155.12 54.54 Favored Pre-proline 0 CA--C 1.541 0.6 0 C-N-CA 126.68 1.992 . . . . 0.0 112.285 177.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -62.69 -18.69 65.37 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 124.124 3.216 . . . . 0.0 113.218 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -83.09 -33.25 26.42 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.908 0.883 . . . . 0.0 112.147 176.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -68.93 -49.01 61.78 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.117 1.367 . . . . 0.0 111.796 -176.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 mt -64.66 -44.44 90.4 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.94 1.696 . . . . 0.0 110.299 -176.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -62.04 -45.39 93.79 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.972 170.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.618 0 CA-C-N 119.509 1.05 . . . . 0.0 113.411 -178.958 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.537 0.467 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -170.38 152.31 4.0 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.616 1.566 . . . . 0.0 112.36 178.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.716 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -153.01 156.46 38.85 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.679 1.592 . . . . 0.0 111.049 177.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -116.89 147.84 41.83 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.912 1.285 . . . . 0.0 110.346 171.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -137.12 155.32 49.76 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.976 1.31 . . . . 0.0 111.627 -178.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -128.4 149.51 50.51 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.826 1.65 . . . . 0.0 111.627 174.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -79.65 108.91 13.56 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 172.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.01 -158.13 31.98 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.951 1.262 . . . . 0.0 112.126 171.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.76 -44.35 96.85 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.097 0.959 . . . . 0.0 112.83 -177.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -107.73 -9.52 15.79 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 -170.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 153.81 -159.54 28.78 Favored Glycine 0 N--CA 1.473 1.156 0 C-N-CA 125.227 1.394 . . . . 0.0 113.406 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -69.52 132.55 46.44 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.107 0.963 . . . . 0.0 112.596 174.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 72.8 m95 -133.25 139.2 46.81 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.372 1.469 . . . . 0.0 110.782 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -82.0 141.63 33.08 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.576 0.75 . . . . 0.0 111.799 -170.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -71.61 162.57 29.24 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.406 1.082 . . . . 0.0 113.712 171.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -78.41 148.28 33.69 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.81 0.844 . . . . 0.0 110.712 170.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.88 -19.96 65.47 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -178.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -63.26 -39.98 96.12 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.684 1.194 . . . . 0.0 111.525 170.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 66.0 m -92.36 -52.05 4.85 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 127.169 2.187 . . . . 0.0 112.162 -173.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 86.4 p -61.17 -30.09 70.19 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.089 0.859 . . . . 0.0 113.301 -173.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -29.78 70.73 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 174.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.0 -34.7 71.63 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.208 0.913 . . . . 0.0 110.387 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.0 mt -75.24 -43.35 52.07 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.003 1.721 . . . . 0.0 110.495 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -63.86 -30.89 71.93 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.543 1.537 . . . . 0.0 113.219 175.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -81.09 -33.42 33.36 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.155 -0.966 . . . . 0.0 111.546 -177.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.57 -50.84 71.93 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.002 1.321 . . . . 0.0 114.119 -173.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -68.55 -21.82 64.53 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 118.69 0.677 . . . . 0.0 112.317 175.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 t -79.96 -28.79 39.57 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.753 1.221 . . . . 0.0 112.406 175.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -76.77 -41.09 46.09 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.993 1.317 . . . . 0.0 111.992 173.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.63 -7.25 8.4 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 124.926 1.251 . . . . 0.0 114.379 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -67.35 151.3 47.71 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 118.904 1.352 . . . . 0.0 112.183 171.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -97.47 -2.08 42.79 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.8 1.24 . . . . 0.0 113.677 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -167.47 150.62 6.18 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.974 1.709 . . . . 0.0 110.669 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.3 t -141.63 179.98 6.51 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.724 1.609 . . . . 0.0 111.026 -176.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -129.59 146.97 51.35 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 125.344 1.458 . . . . 0.0 111.88 -172.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -156.26 155.19 31.92 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.131 1.373 . . . . 0.0 111.987 -176.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.59 142.42 35.37 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.9 1.68 . . . . 0.0 110.008 177.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -119.59 -152.82 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.885 1.274 . . . . 0.0 111.869 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.76 -16.22 15.79 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 178.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.72 15.57 0.03 OUTLIER Glycine 0 CA--C 1.533 1.195 0 N-CA-C 116.656 1.423 . . . . 0.0 116.656 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -150.5 152.19 33.83 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.83 1.315 . . . . 0.0 112.552 -169.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.07 125.83 35.97 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 169.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -118.67 134.16 55.32 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.963 0.905 . . . . 0.0 112.127 171.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 49.6 t -86.13 109.52 18.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 125.892 1.677 . . . . 0.0 108.272 174.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.5 99.93 8.29 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.573 1.549 . . . . 0.0 111.105 176.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -86.23 116.23 24.28 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.224 1.41 . . . . 0.0 110.876 175.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.8 mt -71.72 -32.3 67.63 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.022 1.329 . . . . 0.0 112.529 177.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -63.48 -48.63 76.86 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.467 1.107 . . . . 0.0 112.875 -171.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -101.08 -6.78 23.91 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.325 1.45 . . . . 0.0 112.087 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 58.99 65.27 1.24 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.857 2.063 . . . . 0.0 111.553 -174.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.8 m -145.01 160.89 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -175.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -121.19 132.32 54.76 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 127.953 2.501 . . . . 0.0 110.339 178.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -152.19 160.15 43.44 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.253 1.021 . . . . 0.0 113.681 176.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 -71.5 140.05 49.8 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.142 0.977 . . . . 0.0 111.116 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -49.06 -39.29 26.97 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.363 1.465 . . . . 0.0 114.517 -175.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -97.1 -0.57 46.87 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.044 1.337 . . . . 0.0 113.847 -176.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -147.16 60.54 1.18 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.98 1.312 . . . . 0.0 110.497 -169.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -61.41 -20.47 63.1 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -176.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.12 -12.28 75.64 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 125.497 1.522 . . . . 0.0 114.437 177.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.12 14.44 4.23 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 118.783 1.292 . . . . 0.0 113.475 177.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -56.19 146.2 24.06 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 116.448 2.018 . . . . 0.0 116.448 -168.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 -136.13 137.1 40.64 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 127.254 2.222 . . . . 0.0 110.838 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.85 147.85 51.12 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 -171.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.2 pt -135.65 170.98 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 126.752 2.021 . . . . 0.0 111.446 170.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.7 pttt -155.5 165.86 35.31 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.571 1.548 . . . . 0.0 112.823 173.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 30.0 mtp-105 -101.46 152.04 21.23 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.369 1.468 . . . . 0.0 109.623 166.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.31 178.04 10.21 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.141 1.376 . . . . 0.0 111.682 174.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.7 mm -128.52 139.46 51.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 125.485 1.514 . . . . 0.0 110.393 -176.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.716 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.0 mp -92.98 140.85 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.988 0.915 . . . . 0.0 110.448 171.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -104.48 -21.83 13.39 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.7 mm . . . . . 0 N--CA 1.486 1.364 0 C-N-CA 129.123 2.969 . . . . 0.0 111.85 176.269 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 CA--C 1.538 0.495 0 N-CA-C 111.589 0.218 . . . . 0.0 111.589 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.4 mt -77.93 179.17 6.91 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 123.065 1.412 . . . . 0.0 113.373 -173.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.9 m -89.85 155.88 47.44 Favored Pre-proline 0 CA--C 1.539 0.55 0 C-N-CA 126.653 1.981 . . . . 0.0 112.3 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -61.82 -20.32 68.79 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 124.113 3.209 . . . . 0.0 113.094 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -82.03 -33.37 30.02 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.232 1.013 . . . . 0.0 112.219 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -69.57 -48.67 59.5 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.921 1.288 . . . . 0.0 111.583 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 mt -63.73 -48.82 75.51 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 125.749 1.62 . . . . 0.0 109.948 -177.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -58.82 -41.49 86.98 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 118.753 -0.641 . . . . 0.0 112.58 171.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.714 0 CA-C-N 119.607 1.094 . . . . 0.0 112.651 177.591 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 N--CA 1.471 0.607 0 CA-C-O 119.472 -0.299 . . . . 0.0 110.332 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -171.66 150.8 2.78 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.467 1.507 . . . . 0.0 112.911 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.719 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -153.51 153.45 32.46 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.244 1.418 . . . . 0.0 112.496 177.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -101.54 147.57 26.23 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.493 1.517 . . . . 0.0 110.595 169.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -139.82 150.98 45.34 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.821 1.248 . . . . 0.0 112.154 176.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -130.85 149.92 52.26 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.273 1.429 . . . . 0.0 111.986 175.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -76.6 110.56 11.27 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 120.753 0.311 . . . . 0.0 110.403 172.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -90.95 -147.65 19.71 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.268 1.413 . . . . 0.0 111.714 171.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -73.38 -40.7 64.13 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 122.023 -0.693 . . . . 0.0 112.733 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -108.95 -10.1 15.08 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 115.48 1.659 . . . . 0.0 115.48 -170.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 155.91 -160.29 29.92 Favored Glycine 0 N--CA 1.474 1.231 0 C-N-CA 125.044 1.307 . . . . 0.0 113.443 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -71.77 131.09 42.6 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.349 1.059 . . . . 0.0 111.915 174.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -131.02 140.86 50.17 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.845 1.258 . . . . 0.0 111.02 177.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -82.24 142.43 32.14 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.015 0.926 . . . . 0.0 111.203 -172.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -72.62 162.22 29.76 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -72.12 153.7 41.52 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.837 1.255 . . . . 0.0 111.943 170.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -69.44 -19.6 63.78 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.81 1.244 . . . . 0.0 113.368 -175.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.1 mmt85 -95.07 -13.4 25.19 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.232 1.013 . . . . 0.0 112.079 177.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.4 m -95.49 -53.61 3.68 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.854 1.262 . . . . 0.0 110.979 175.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 64.9 p -58.23 -30.22 66.35 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -178.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -28.85 70.31 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 175.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -71.56 -36.39 70.91 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 118.926 0.785 . . . . 0.0 110.064 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.5 mt -72.65 -41.84 65.01 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.935 1.694 . . . . 0.0 110.557 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -61.55 -33.24 73.5 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.999 1.32 . . . . 0.0 113.295 172.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -82.09 -34.19 29.43 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.274 -0.891 . . . . 0.0 111.249 -175.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.56 -50.37 73.81 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.996 1.318 . . . . 0.0 114.104 -174.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -67.63 -24.48 65.47 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.868 0.758 . . . . 0.0 112.026 175.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.0 t -76.87 -30.55 56.29 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.734 1.214 . . . . 0.0 112.504 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -75.55 -41.31 55.25 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.879 1.272 . . . . 0.0 111.894 174.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.72 -7.44 8.9 Favored Glycine 0 N--CA 1.469 0.888 0 C-N-CA 125.038 1.304 . . . . 0.0 113.952 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -65.84 151.03 47.6 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.05 1.425 . . . . 0.0 112.387 172.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -96.49 -2.51 45.08 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.871 1.269 . . . . 0.0 113.551 -178.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -169.03 152.2 5.06 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.263 1.825 . . . . 0.0 110.43 178.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.1 t -142.55 -179.12 6.11 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.469 1.507 . . . . 0.0 111.129 -176.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -130.96 146.52 52.39 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.32 1.448 . . . . 0.0 111.743 -170.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -155.34 152.93 29.74 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.925 1.29 . . . . 0.0 112.215 -174.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.66 143.07 34.33 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.892 1.677 . . . . 0.0 110.212 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.76 -152.52 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.983 1.313 . . . . 0.0 111.966 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.18 -15.63 15.88 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 178.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.45 15.01 0.03 OUTLIER Glycine 0 CA--C 1.534 1.276 0 N-CA-C 116.68 1.432 . . . . 0.0 116.68 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -150.1 150.5 31.78 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.857 1.328 . . . . 0.0 112.381 -169.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.51 126.08 35.8 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.67 1.188 . . . . 0.0 108.227 169.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -118.19 136.89 53.36 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.75 1.22 . . . . 0.0 112.503 173.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 41.0 t -92.47 109.11 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 C-N-CA 126.226 1.81 . . . . 0.0 108.517 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.447 ' HB2' HE22 ' A' ' 80' ' ' GLN . . . -81.55 101.91 10.27 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.606 1.562 . . . . 0.0 111.273 177.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -89.12 111.81 22.66 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.603 1.161 . . . . 0.0 110.684 177.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.7 mt -70.96 -26.7 63.28 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.562 1.545 . . . . 0.0 113.098 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -73.55 -46.39 47.81 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.9 0.88 . . . . 0.0 112.621 -172.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -101.13 -6.66 24.03 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.502 1.521 . . . . 0.0 112.107 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.4 mmt 57.92 64.83 1.43 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.772 2.029 . . . . 0.0 111.617 -175.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.9 m -145.02 157.45 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -177.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.447 HE22 ' HB2' ' A' ' 73' ' ' ALA . 36.5 mm-40 -120.5 129.58 53.9 Favored 'General case' 0 N--CA 1.461 0.108 0 C-N-CA 126.76 2.024 . . . . 0.0 110.82 176.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -148.63 157.91 43.78 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.705 1.202 . . . . 0.0 113.122 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.1 ttt-85 -73.06 143.13 47.57 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.583 1.153 . . . . 0.0 111.044 175.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.9 mtp85 -52.02 -32.87 35.93 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -173.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -86.18 -19.43 30.06 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -174.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.15 127.91 7.33 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 122.578 1.18 . . . . 0.0 113.399 -178.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 53.4 p-80 -82.94 -15.75 50.11 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.209 1.404 . . . . 0.0 114.067 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.1 -13.88 60.54 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.091 1.329 . . . . 0.0 115.011 -175.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -86.23 1.13 51.97 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.511 1.525 . . . . 0.0 113.475 173.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -54.37 128.77 33.03 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -168.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -112.29 132.89 54.71 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.87 2.068 . . . . 0.0 110.524 178.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -67.08 145.76 55.01 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.881 1.272 . . . . 0.0 113.354 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.5 pt -129.36 170.63 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.459 1.503 . . . . 0.0 111.462 174.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -152.05 165.18 35.51 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.692 1.197 . . . . 0.0 112.767 178.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 61.3 mtp85 -106.1 142.31 36.01 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 126.107 1.763 . . . . 0.0 109.063 169.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -149.57 179.99 7.54 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.786 1.234 . . . . 0.0 112.235 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.0 mm -129.48 139.83 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.916 1.686 . . . . 0.0 110.263 -175.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.719 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.4 mp -90.4 141.56 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.232 1.013 . . . . 0.0 110.521 172.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -99.78 -22.98 15.13 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.7 mm . . . . . 0 N--CA 1.487 1.376 0 C-N-CA 128.836 2.854 . . . . 0.0 112.46 175.719 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.543 0.683 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.4 mt -90.61 -178.91 5.42 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.828 1.251 . . . . 0.0 112.518 -177.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.6 m -89.77 156.27 47.41 Favored Pre-proline 0 CA--C 1.54 0.587 0 C-N-CA 126.329 1.852 . . . . 0.0 111.656 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -61.96 -21.36 72.19 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 124.09 3.193 . . . . 0.0 113.053 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -79.88 -32.81 40.36 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.315 1.046 . . . . 0.0 112.275 176.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -69.38 -48.22 61.83 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.944 1.298 . . . . 0.0 111.956 -174.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 mt -65.04 -41.9 94.78 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.781 1.632 . . . . 0.0 110.261 -176.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -63.64 -46.46 85.54 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.511 0.724 . . . . 0.0 111.826 170.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.64 0 CA-C-N 119.236 0.925 . . . . 0.0 113.327 -178.334 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.537 0.473 0 CA-C-O 120.625 0.25 . . . . 0.0 111.531 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -171.3 152.23 3.3 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.85 1.66 . . . . 0.0 111.807 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.736 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -151.49 145.67 25.35 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.871 1.668 . . . . 0.0 110.019 175.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 27.6 m95 -107.34 147.8 29.84 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.515 1.126 . . . . 0.0 110.063 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -138.23 150.08 46.37 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.984 1.314 . . . . 0.0 111.934 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -137.18 155.79 49.12 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.539 1.536 . . . . 0.0 111.854 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -76.75 117.22 18.15 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.041 0.448 . . . . 0.0 111.85 175.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -104.74 -161.86 24.04 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.259 1.409 . . . . 0.0 112.165 169.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -61.77 -45.03 95.66 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.057 0.943 . . . . 0.0 112.735 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -106.69 -7.38 17.33 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -169.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 155.32 -159.2 28.98 Favored Glycine 0 N--CA 1.473 1.12 0 C-N-CA 125.026 1.298 . . . . 0.0 113.393 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -77.51 132.79 38.56 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.308 1.043 . . . . 0.0 111.661 175.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -131.81 144.58 51.02 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.804 1.242 . . . . 0.0 111.264 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -84.01 141.86 30.89 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.027 0.931 . . . . 0.0 111.236 -173.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -71.2 161.73 30.61 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 169.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -74.02 150.75 40.5 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.778 0.831 . . . . 0.0 111.171 169.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.49 -22.08 66.86 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -177.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -68.79 -39.5 80.1 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 121.362 -0.836 . . . . 0.0 111.349 170.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.2 m -82.06 -53.17 6.33 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.691 1.597 . . . . 0.0 112.524 -176.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.1 p -61.53 -31.53 71.55 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -171.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -28.35 69.87 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-O 118.899 -0.572 . . . . 0.0 112.263 175.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -70.46 -36.76 74.1 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.301 0.955 . . . . 0.0 110.304 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.2 mt -71.22 -43.07 68.05 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.892 1.677 . . . . 0.0 110.437 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -64.13 -33.0 74.77 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.604 1.562 . . . . 0.0 113.111 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -82.2 -33.37 29.42 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.114 -0.991 . . . . 0.0 111.519 -176.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.93 -48.63 79.35 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.894 1.278 . . . . 0.0 113.854 -177.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -69.73 -21.33 63.47 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 118.658 0.663 . . . . 0.0 112.499 175.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 t -80.46 -30.55 37.49 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.686 1.195 . . . . 0.0 112.428 175.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -74.46 -45.7 44.47 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.025 1.33 . . . . 0.0 111.303 176.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.65 -7.63 6.96 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 125.119 1.342 . . . . 0.0 114.034 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -66.63 151.53 47.16 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 118.87 1.335 . . . . 0.0 112.362 171.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -96.82 -3.24 42.54 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.819 1.248 . . . . 0.0 113.552 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -168.03 151.16 5.77 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 126.199 1.8 . . . . 0.0 110.301 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.9 t -140.2 179.04 6.86 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.386 1.474 . . . . 0.0 111.104 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -131.37 145.55 51.88 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 125.19 1.396 . . . . 0.0 111.581 -170.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -154.18 150.67 28.35 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.73 1.212 . . . . 0.0 112.107 -174.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.41 141.96 35.05 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.828 1.651 . . . . 0.0 109.786 177.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -118.12 -150.14 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.785 1.234 . . . . 0.0 111.499 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.43 -15.31 25.2 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 177.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.63 12.83 0.03 OUTLIER Glycine 0 CA--C 1.536 1.383 0 N-CA-C 116.883 1.513 . . . . 0.0 116.883 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -148.67 150.53 33.36 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.908 1.354 . . . . 0.0 112.408 -169.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.64 125.32 35.2 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.639 1.176 . . . . 0.0 108.511 169.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -117.21 134.75 54.42 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.659 1.183 . . . . 0.0 111.775 172.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.7 t -91.86 109.92 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 125.982 1.713 . . . . 0.0 108.37 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.483 ' HB2' HE22 ' A' ' 80' ' ' GLN . . . -82.44 98.72 9.04 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.909 1.684 . . . . 0.0 111.147 179.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -86.72 113.35 22.5 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.667 1.187 . . . . 0.0 110.886 177.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.5 mt -72.21 -26.54 62.09 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.3 1.44 . . . . 0.0 112.934 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -69.44 -46.99 65.45 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.913 0.885 . . . . 0.0 112.61 -173.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -101.19 -6.85 23.71 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.397 1.479 . . . . 0.0 112.086 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.1 mmt 58.46 63.18 1.77 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.892 2.077 . . . . 0.0 111.321 -173.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 35.4 m -142.68 153.68 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -177.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.483 HE22 ' HB2' ' A' ' 73' ' ' ALA . 50.7 mm-40 -106.32 140.21 39.61 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 125.971 1.708 . . . . 0.0 110.849 169.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -152.29 156.27 39.32 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.999 1.32 . . . . 0.0 112.401 169.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -74.83 142.98 44.13 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.536 1.135 . . . . 0.0 110.733 176.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 74.4 mtp85 -53.39 -27.69 25.42 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -71.42 -24.7 62.09 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -178.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -164.51 128.93 2.61 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.675 1.19 . . . . 0.0 111.927 175.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 52.8 p-80 -80.81 -15.59 56.0 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.436 1.272 . . . . 0.0 114.436 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.41 -64.33 4.22 Favored Glycine 0 N--CA 1.471 0.985 0 C-N-CA 125.893 1.711 . . . . 0.0 112.206 -174.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -66.15 119.22 11.07 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 117.611 0.705 . . . . 0.0 109.175 169.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -151.62 162.87 40.27 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.412 1.485 . . . . 0.0 112.244 -172.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -135.78 127.11 28.39 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.459 1.503 . . . . 0.0 110.762 -174.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.09 146.07 54.82 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.294 1.037 . . . . 0.0 112.895 177.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.4 pt -132.24 170.02 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.635 1.574 . . . . 0.0 111.299 176.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -155.31 165.84 35.39 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.852 1.261 . . . . 0.0 112.585 -179.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.2 mtp-105 -110.44 150.59 28.63 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.385 1.474 . . . . 0.0 110.902 169.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -145.72 167.18 23.77 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.203 2.201 . . . . 0.0 110.429 175.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.8 mm -121.4 135.87 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.024 1.33 . . . . 0.0 109.997 -178.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.736 HD11 ' HB2' ' A' ' 31' ' ' ALA . 4.9 mp -90.4 140.87 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 123.978 0.911 . . . . 0.0 110.634 171.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -102.98 -24.59 13.64 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.6 mm . . . . . 0 N--CA 1.486 1.342 0 C-N-CA 128.88 2.872 . . . . 0.0 111.677 177.076 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 CA--C 1.543 0.705 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.1 mt -86.44 -173.54 4.58 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.862 1.265 . . . . 0.0 112.422 -178.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.9 m -101.85 157.88 32.84 Favored Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 126.651 1.98 . . . . 0.0 111.812 -178.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -60.62 -25.96 81.9 Favored 'Trans proline' 0 CA--C 1.535 0.529 0 C-N-CA 123.7 2.933 . . . . 0.0 112.981 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -85.27 -11.49 54.64 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.555 1.142 . . . . 0.0 113.907 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -86.47 -51.34 6.26 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.69 1.196 . . . . 0.0 110.683 173.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mt -61.54 -50.57 72.12 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 125.003 1.321 . . . . 0.0 110.742 -176.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -63.66 -14.84 55.69 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 175.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.679 0 C-N-CA 124.299 1.04 . . . . 0.0 111.764 172.682 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.537 0.47 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -171.96 151.9 2.84 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.812 1.645 . . . . 0.0 112.745 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.706 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -156.01 151.39 26.84 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.339 1.456 . . . . 0.0 112.396 177.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 62.4 m95 -97.44 146.8 24.86 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.503 1.121 . . . . 0.0 111.318 171.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -136.67 160.83 37.63 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.955 1.702 . . . . 0.0 111.958 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -138.56 149.22 45.08 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.139 1.776 . . . . 0.0 111.315 174.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -79.67 111.86 16.37 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.671 0.669 . . . . 0.0 110.334 171.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -91.16 -152.1 27.63 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.249 1.404 . . . . 0.0 111.859 170.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -67.18 -41.97 85.01 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.766 0.826 . . . . 0.0 112.862 -178.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -106.73 -9.4 16.47 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 -170.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 153.46 -162.38 30.24 Favored Glycine 0 N--CA 1.473 1.111 0 C-N-CA 125.282 1.42 . . . . 0.0 113.079 178.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -67.99 131.82 46.17 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.824 0.85 . . . . 0.0 112.175 173.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.4 m95 -132.19 141.2 48.99 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.689 1.595 . . . . 0.0 110.684 177.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -77.79 139.37 39.33 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.166 0.586 . . . . 0.0 110.933 -175.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -67.89 153.03 44.6 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 171.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -66.76 152.56 45.28 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.051 0.94 . . . . 0.0 111.34 170.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -69.85 -18.06 63.41 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.749 0.82 . . . . 0.0 113.021 -175.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -82.84 -16.9 45.87 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.916 0.887 . . . . 0.0 112.305 172.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.1 m -100.38 -50.77 3.82 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.774 1.63 . . . . 0.0 111.735 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.6 p -61.02 -27.68 68.5 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -28.98 69.97 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 173.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.09 -39.5 72.09 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.937 0.79 . . . . 0.0 109.712 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.0 mt -70.04 -43.6 70.96 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.982 1.713 . . . . 0.0 110.855 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -57.32 -45.55 84.11 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.587 1.555 . . . . 0.0 111.969 171.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -72.7 -37.43 67.83 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.755 0.822 . . . . 0.0 110.532 -173.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.48 -50.05 71.2 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.396 1.478 . . . . 0.0 114.012 -178.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.14 -21.67 63.99 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.939 0.79 . . . . 0.0 111.659 176.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.6 t -79.19 -32.93 44.25 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.663 1.185 . . . . 0.0 112.865 174.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -72.92 -43.08 62.82 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.247 1.419 . . . . 0.0 111.585 175.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.49 -7.18 8.49 Favored Glycine 0 C--N 1.341 0.815 0 C-N-CA 124.952 1.263 . . . . 0.0 114.129 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -65.26 151.28 46.57 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.174 1.487 . . . . 0.0 112.317 173.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -98.9 -0.14 42.93 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.035 1.334 . . . . 0.0 113.211 -174.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -170.69 145.37 2.48 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.7 2.0 . . . . 0.0 109.592 176.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 t -135.57 177.1 8.08 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.305 1.042 . . . . 0.0 112.279 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -123.01 147.33 46.77 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.658 1.583 . . . . 0.0 111.549 -172.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.2 ptt? -153.67 148.76 26.8 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.147 1.379 . . . . 0.0 111.975 -173.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.67 142.1 35.26 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 125.843 1.657 . . . . 0.0 110.089 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.62 -153.05 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.835 1.254 . . . . 0.0 111.987 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.03 -15.99 16.28 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.4 15.2 0.03 OUTLIER Glycine 0 CA--C 1.535 1.292 0 N-CA-C 116.624 1.41 . . . . 0.0 116.624 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -150.16 152.4 34.62 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.712 1.256 . . . . 0.0 112.297 -169.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.35 125.54 36.14 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.827 1.251 . . . . 0.0 108.362 169.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -116.62 135.79 53.51 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.599 1.16 . . . . 0.0 111.283 170.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.9 t -89.71 121.72 40.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 C-N-CA 125.847 1.659 . . . . 0.0 106.961 171.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.13 118.82 33.48 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.955 1.302 . . . . 0.0 109.451 174.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -90.29 110.88 21.92 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.018 1.727 . . . . 0.0 109.89 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.1 mp -84.51 -6.81 59.4 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.045 1.338 . . . . 0.0 112.371 -176.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -84.09 -53.0 5.84 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.303 0.956 . . . . 0.0 111.576 173.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -95.66 -8.25 35.28 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.039 1.736 . . . . 0.0 112.22 -170.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 6.7 mmt 54.75 58.87 4.46 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.438 1.895 . . . . 0.0 111.656 -173.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.5 m -135.58 175.76 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 124.792 1.237 . . . . 0.0 111.114 173.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.98 147.23 28.33 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.752 1.221 . . . . 0.0 111.577 173.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -158.33 158.36 34.18 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.992 1.717 . . . . 0.0 111.985 -171.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.4 ttt-85 -66.76 152.26 45.84 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 120.989 -1.069 . . . . 0.0 110.872 169.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.6 mtp85 -51.81 -31.05 25.79 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 -172.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -98.43 -2.08 39.91 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 125.024 1.33 . . . . 0.0 114.267 178.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -102.98 147.28 27.14 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.012 2.125 . . . . 0.0 111.634 -169.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 28.6 p80 -149.06 -33.49 0.21 Allowed 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 174.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.51 -8.24 87.12 Favored Glycine 0 N--CA 1.476 1.334 0 C-N-CA 124.545 1.069 . . . . 0.0 115.006 -178.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.11 17.35 10.8 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.236 1.814 . . . . 0.0 112.716 -177.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 35.8 ptt-85 -54.25 139.85 34.75 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.464 1.506 . . . . 0.0 112.773 177.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -105.65 139.33 40.4 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.092 1.757 . . . . 0.0 109.827 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -65.62 146.06 55.28 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 175.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.4 pt -125.94 167.21 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.456 1.502 . . . . 0.0 109.876 167.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -155.86 170.1 22.89 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.738 1.215 . . . . 0.0 112.313 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -114.72 138.94 50.11 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.648 1.579 . . . . 0.0 109.099 168.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.92 -177.39 5.19 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.304 1.842 . . . . 0.0 111.273 -175.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.5 mm -129.51 137.98 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 125.368 1.467 . . . . 0.0 110.858 -173.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.706 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.1 mp -91.49 140.58 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.441 1.096 . . . . 0.0 110.62 170.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -99.26 -23.7 15.1 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.5 mm . . . . . 0 N--CA 1.488 1.436 0 C-N-CA 128.726 2.81 . . . . 0.0 112.46 174.774 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 CA--C 1.538 0.49 0 N-CA-C 111.367 0.136 . . . . 0.0 111.367 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.0 mt -81.78 -177.83 6.72 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 122.929 1.347 . . . . 0.0 113.035 -175.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 m -102.6 159.36 29.58 Favored Pre-proline 0 CA--C 1.541 0.627 0 C-N-CA 126.931 2.093 . . . . 0.0 111.972 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -60.55 -25.26 80.32 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 124.129 3.22 . . . . 0.0 113.096 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -85.55 -11.18 54.72 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.517 1.127 . . . . 0.0 114.026 176.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -87.71 -51.66 5.75 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.832 1.253 . . . . 0.0 111.168 174.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.4 mt -60.86 -46.76 89.3 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.787 1.635 . . . . 0.0 110.786 -176.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -63.63 -38.51 91.4 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 172.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.619 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -179.099 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.537 0.448 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -170.17 152.34 4.18 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.309 1.444 . . . . 0.0 112.417 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.69 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -153.4 157.37 39.86 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.925 1.69 . . . . 0.0 110.331 176.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -118.0 146.7 43.84 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 124.544 1.138 . . . . 0.0 109.737 172.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -135.91 156.37 48.88 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.745 1.218 . . . . 0.0 111.574 -178.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -136.89 148.25 46.94 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.507 1.523 . . . . 0.0 111.314 175.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -79.19 108.7 12.89 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 122.048 -0.407 . . . . 0.0 110.333 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -91.72 -150.4 25.47 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.282 1.42 . . . . 0.0 112.243 173.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -63.59 -43.89 95.62 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.946 0.898 . . . . 0.0 112.728 -178.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -111.42 -14.92 13.67 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 -169.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 162.17 -160.51 32.63 Favored Glycine 0 N--CA 1.473 1.148 0 C-N-CA 125.039 1.304 . . . . 0.0 113.293 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -67.74 130.81 44.16 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.915 0.886 . . . . 0.0 112.359 173.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -130.71 141.05 50.38 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.564 1.546 . . . . 0.0 110.113 176.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -82.37 138.69 34.41 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.458 0.703 . . . . 0.0 111.107 -171.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -66.77 153.67 42.73 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.659 0.784 . . . . 0.0 112.583 169.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -64.31 150.41 46.17 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.858 0.863 . . . . 0.0 111.74 172.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -64.98 -24.38 67.5 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -174.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -83.19 -16.47 46.46 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.456 0.702 . . . . 0.0 111.814 175.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.2 m -95.93 -51.56 4.41 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.564 1.545 . . . . 0.0 111.667 178.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.2 p -61.13 -30.52 70.43 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.472 -0.768 . . . . 0.0 113.05 -177.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -25.76 68.5 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 174.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -76.92 -40.01 48.74 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.532 0.605 . . . . 0.0 109.728 178.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.2 mt -65.68 -44.71 85.39 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.474 1.51 . . . . 0.0 110.668 176.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -62.31 -30.12 70.92 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.198 1.399 . . . . 0.0 112.77 175.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -81.82 -29.71 32.5 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.21 -0.931 . . . . 0.0 111.362 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.78 -45.74 73.99 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -173.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -70.84 -18.57 62.71 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.661 0.664 . . . . 0.0 111.966 174.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.7 t -83.11 -32.19 26.85 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.739 1.216 . . . . 0.0 112.395 175.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -73.23 -42.45 62.57 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.995 1.318 . . . . 0.0 111.754 174.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.35 -7.14 9.15 Favored Glycine 0 C--N 1.343 0.919 0 C-N-CA 124.946 1.26 . . . . 0.0 114.025 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -65.87 151.75 46.0 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.094 1.447 . . . . 0.0 112.626 174.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -95.85 -5.21 42.19 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.262 1.425 . . . . 0.0 113.283 -175.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -168.48 143.61 3.47 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.56 1.944 . . . . 0.0 109.71 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 t -132.0 172.1 12.77 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.144 0.977 . . . . 0.0 112.332 176.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -120.19 146.12 46.32 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 126.042 1.737 . . . . 0.0 111.262 -173.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.5 ptt? -152.05 147.83 26.97 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.872 1.269 . . . . 0.0 112.374 -173.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.77 142.75 33.38 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.79 1.636 . . . . 0.0 110.169 177.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.87 -151.87 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.075 1.35 . . . . 0.0 111.897 -179.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.23 -17.17 25.64 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 115.516 1.673 . . . . 0.0 115.516 178.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.56 15.7 0.03 OUTLIER Glycine 0 CA--C 1.534 1.241 0 N-CA-C 116.586 1.395 . . . . 0.0 116.586 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -149.9 152.86 35.74 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.79 1.295 . . . . 0.0 112.303 -169.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.52 124.5 37.56 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.633 1.173 . . . . 0.0 108.102 169.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -114.74 136.75 52.73 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.854 1.262 . . . . 0.0 111.294 171.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.2 t -90.34 122.25 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 170.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.42 109.48 21.66 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.53 1.132 . . . . 0.0 108.702 170.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -86.62 121.7 29.51 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.701 1.201 . . . . 0.0 109.943 174.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.4 mp -88.76 -13.32 39.8 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.017 1.327 . . . . 0.0 112.581 -173.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -86.32 -40.72 15.19 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.757 1.223 . . . . 0.0 112.355 -176.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -96.62 -11.72 24.89 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.819 1.648 . . . . 0.0 111.318 175.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 54.82 67.47 1.01 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.775 2.03 . . . . 0.0 111.361 -172.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.6 m -142.89 165.99 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.935 0.894 . . . . 0.0 112.316 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -121.66 149.77 42.72 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.343 1.457 . . . . 0.0 111.245 170.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -164.63 161.03 20.68 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.018 1.727 . . . . 0.0 112.438 175.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -70.61 150.88 45.58 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 121.067 -1.02 . . . . 0.0 110.384 169.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.0 mtp-105 -55.33 -24.7 30.36 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 -171.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -98.17 -2.07 40.72 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 126.292 1.837 . . . . 0.0 114.821 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -124.0 156.16 36.95 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.538 1.535 . . . . 0.0 112.718 -168.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -150.62 -30.75 0.19 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.032 1.333 . . . . 0.0 113.632 176.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.61 -10.93 83.06 Favored Glycine 0 N--CA 1.475 1.266 0 O-C-N 120.895 -1.128 . . . . 0.0 114.9 -173.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -121.32 15.92 11.37 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.181 1.792 . . . . 0.0 112.234 -178.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 35.3 ptt-85 -51.15 146.16 6.89 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.236 1.814 . . . . 0.0 113.296 176.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -113.33 140.67 47.83 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.318 1.447 . . . . 0.0 110.516 176.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -65.52 142.22 58.2 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.513 1.125 . . . . 0.0 113.155 177.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.5 pt -124.71 169.1 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.071 1.348 . . . . 0.0 110.614 169.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.9 pttt -155.82 165.73 35.63 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.274 1.43 . . . . 0.0 112.946 174.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.1 mtp-105 -99.98 152.06 20.62 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.005 1.322 . . . . 0.0 109.288 165.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -152.3 178.33 9.63 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.273 1.429 . . . . 0.0 111.37 173.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.0 mm -130.5 139.15 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 125.331 1.452 . . . . 0.0 110.363 -174.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.69 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.0 mp -92.98 140.97 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.079 0.952 . . . . 0.0 110.524 171.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -105.86 -18.94 13.89 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.4 mm . . . . . 0 N--CA 1.486 1.357 0 C-N-CA 129.192 2.997 . . . . 0.0 111.843 176.149 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 CA--C 1.541 0.605 0 N-CA-C 111.805 0.298 . . . . 0.0 111.805 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.3 mt -86.91 -177.25 6.03 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.065 1.346 . . . . 0.0 112.521 -176.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 m -95.74 158.34 34.51 Favored Pre-proline 0 CA--C 1.538 0.494 0 C-N-CA 126.236 1.815 . . . . 0.0 111.711 175.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -57.69 -30.37 88.71 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 123.263 2.642 . . . . 0.0 112.074 174.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -78.37 -12.79 60.03 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.745 1.218 . . . . 0.0 113.474 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -88.19 -50.99 6.02 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 125.145 1.378 . . . . 0.0 110.525 174.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 mt -63.04 -49.11 75.88 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.08 1.352 . . . . 0.0 110.684 -177.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -65.65 -11.93 49.02 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.139 1.162 . . . . 0.0 114.139 175.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.685 0 C-N-CA 124.294 1.037 . . . . 0.0 112.068 171.796 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.535 0.37 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -171.39 152.13 3.22 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.807 1.643 . . . . 0.0 112.755 178.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.701 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -154.92 146.29 22.99 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.26 1.424 . . . . 0.0 112.112 179.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.1 m95 -92.05 146.67 23.54 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.443 1.097 . . . . 0.0 112.043 173.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -138.22 157.45 46.25 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.737 1.615 . . . . 0.0 112.258 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -138.78 149.49 45.05 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.014 1.725 . . . . 0.0 111.159 174.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -78.87 118.68 21.13 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.461 0.573 . . . . 0.0 110.662 171.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.99 -154.6 27.77 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 125.203 1.382 . . . . 0.0 111.334 169.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -64.08 -42.83 96.83 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.206 1.002 . . . . 0.0 113.155 -178.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -106.6 -7.26 17.49 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 -170.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 151.69 -162.16 29.54 Favored Glycine 0 N--CA 1.473 1.121 0 C-N-CA 125.245 1.403 . . . . 0.0 113.165 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -70.56 133.36 46.67 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.946 0.899 . . . . 0.0 111.888 173.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.8 m95 -132.3 141.44 48.98 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.562 1.545 . . . . 0.0 110.75 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -80.43 140.54 35.94 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.652 0.781 . . . . 0.0 110.859 -174.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -70.21 156.65 38.94 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 173.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -76.23 156.11 33.84 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.975 0.91 . . . . 0.0 110.953 170.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -68.54 -19.59 64.51 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.419 1.087 . . . . 0.0 113.792 -177.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -67.49 -33.52 75.28 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.81 0.844 . . . . 0.0 111.734 170.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.6 m -95.33 -52.0 4.35 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 127.169 2.188 . . . . 0.0 112.454 -171.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.3 p -61.07 -27.97 68.74 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.099 0.863 . . . . 0.0 113.168 -176.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -29.23 68.0 Favored 'General case' 0 C--N 1.345 0.386 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 173.147 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -72.6 -32.95 66.37 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.859 0.754 . . . . 0.0 110.693 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 39.0 mt -81.97 -44.49 16.65 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.703 1.601 . . . . 0.0 111.437 -172.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -67.39 -24.5 65.68 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 175.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -83.12 -36.24 24.96 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.459 1.104 . . . . 0.0 111.089 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.39 82.03 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.841 1.257 . . . . 0.0 113.993 -176.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -68.88 -21.49 64.24 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.957 0.799 . . . . 0.0 112.416 175.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.2 t -80.44 -29.76 37.58 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.617 1.167 . . . . 0.0 112.538 175.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -76.83 -41.9 42.43 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.925 1.29 . . . . 0.0 111.96 175.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 122.92 -7.47 9.37 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 125.097 1.332 . . . . 0.0 114.064 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -65.68 151.29 46.88 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.947 1.373 . . . . 0.0 112.322 172.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.6 pttp -99.11 0.26 43.19 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.953 1.301 . . . . 0.0 113.483 -177.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -171.39 153.42 3.56 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.686 1.995 . . . . 0.0 109.915 177.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.5 t -147.03 172.4 13.79 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.548 1.539 . . . . 0.0 111.271 -172.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -121.31 148.34 44.46 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.21 1.404 . . . . 0.0 111.821 -171.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -153.95 147.45 25.05 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.184 1.394 . . . . 0.0 112.02 -174.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.31 142.56 33.99 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.811 1.644 . . . . 0.0 109.929 176.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -121.67 -153.25 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.688 1.195 . . . . 0.0 111.87 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.87 -15.81 14.39 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 115.577 1.695 . . . . 0.0 115.577 177.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.85 16.36 0.03 OUTLIER Glycine 0 CA--C 1.534 1.232 0 N-CA-C 116.922 1.529 . . . . 0.0 116.922 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -149.77 152.52 35.37 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.746 1.273 . . . . 0.0 111.991 -169.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.96 124.86 38.24 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 169.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -117.8 139.17 51.45 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.621 1.168 . . . . 0.0 111.585 172.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.2 t -94.02 119.44 41.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 126.467 1.907 . . . . 0.0 107.075 173.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.73 126.08 39.81 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.103 1.361 . . . . 0.0 109.772 174.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -108.53 111.75 23.76 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.338 1.855 . . . . 0.0 110.234 -169.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 31.6 mt -78.19 -17.49 56.71 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.8 1.24 . . . . 0.0 113.222 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -71.97 -51.68 20.79 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.969 0.908 . . . . 0.0 111.867 -178.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -102.6 -10.16 19.51 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.45 1.9 . . . . 0.0 112.023 -175.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 57.01 64.89 1.52 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.828 2.051 . . . . 0.0 111.479 -174.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.0 m -143.43 176.1 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 126.418 1.887 . . . . 0.0 110.622 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.1 pp0? -149.34 147.49 28.39 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.295 1.038 . . . . 0.0 112.104 173.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -158.33 165.16 35.43 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.322 1.849 . . . . 0.0 112.976 -169.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -71.57 148.13 46.95 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 120.757 -1.214 . . . . 0.0 111.857 170.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -50.63 -33.84 23.91 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.528 1.131 . . . . 0.0 113.627 174.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -88.64 -12.06 43.62 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -172.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -159.4 111.69 2.14 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 122.437 1.113 . . . . 0.0 112.067 -173.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.6 p-80 -84.66 -18.02 36.7 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.817 1.247 . . . . 0.0 113.517 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.21 -12.75 72.65 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 125.203 1.382 . . . . 0.0 114.476 -178.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -94.6 9.59 38.08 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.646 1.578 . . . . 0.0 113.517 174.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -56.49 142.82 37.49 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -173.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -123.13 145.59 48.46 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.466 1.906 . . . . 0.0 109.97 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -65.04 146.2 55.33 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.729 1.212 . . . . 0.0 114.076 -178.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 14.3 pt -129.12 163.83 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.162 1.385 . . . . 0.0 110.526 168.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 48.2 pttt -155.46 171.61 19.62 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.234 1.414 . . . . 0.0 112.269 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 58.2 mtm180 -115.51 142.29 46.92 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.05 1.34 . . . . 0.0 109.05 167.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -138.47 -179.14 5.63 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.225 1.81 . . . . 0.0 111.019 -179.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.7 mm -128.26 137.36 57.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.857 1.263 . . . . 0.0 110.851 -172.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.701 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.0 mp -90.78 140.01 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 124.346 1.058 . . . . 0.0 110.465 170.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -101.93 -22.81 14.24 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 23.0 mm . . . . . 0 N--CA 1.487 1.38 0 C-N-CA 128.8 2.84 . . . . 0.0 112.127 177.143 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mt . . . . . 0 CA--C 1.538 0.512 0 N-CA-C 111.604 0.224 . . . . 0.0 111.604 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.7 mt -76.49 178.62 6.47 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 122.962 1.363 . . . . 0.0 113.085 -178.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.0 m -88.06 155.68 52.25 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 126.499 1.92 . . . . 0.0 111.78 175.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -61.94 -21.25 71.95 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 123.914 3.076 . . . . 0.0 113.039 177.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -80.97 -32.77 34.26 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.315 1.046 . . . . 0.0 112.241 177.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -68.18 -48.8 64.29 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.918 1.287 . . . . 0.0 111.626 -176.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 mt -65.17 -46.53 80.47 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.811 1.644 . . . . 0.0 110.113 -177.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -61.34 -40.42 94.18 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.541 0.736 . . . . 0.0 112.193 173.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.61 0 CA-C-N 119.604 1.093 . . . . 0.0 112.515 176.78 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 CA--C 1.534 0.357 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -170.58 151.74 3.68 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.624 1.569 . . . . 0.0 112.934 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.661 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -150.77 159.32 44.61 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.548 1.539 . . . . 0.0 110.998 176.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 45.3 m95 -123.51 146.75 47.84 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 124.948 1.299 . . . . 0.0 109.865 170.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -134.87 158.3 44.6 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.808 1.243 . . . . 0.0 111.651 -178.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -139.48 153.07 47.45 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.117 1.767 . . . . 0.0 110.646 176.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -78.92 108.05 12.1 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.418 0.554 . . . . 0.0 110.618 171.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.51 -154.36 30.94 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 125.937 1.732 . . . . 0.0 112.779 175.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -55.37 -48.05 74.88 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.002 1.321 . . . . 0.0 112.918 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -114.54 -11.48 12.41 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -169.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 161.02 -160.93 32.49 Favored Glycine 0 N--CA 1.473 1.13 0 C-N-CA 124.922 1.249 . . . . 0.0 113.238 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -66.63 127.52 32.72 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.897 0.879 . . . . 0.0 112.205 174.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -130.35 143.53 50.83 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.989 1.316 . . . . 0.0 110.864 175.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -80.79 138.87 36.27 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.381 0.672 . . . . 0.0 110.846 -175.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -67.0 156.78 35.1 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.43 0.692 . . . . 0.0 112.71 170.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -71.59 156.07 39.82 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.281 0.633 . . . . 0.0 110.967 171.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.72 -20.06 65.21 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.326 1.05 . . . . 0.0 113.685 -176.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -67.05 -35.33 79.63 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.808 0.843 . . . . 0.0 111.602 170.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.9 m -94.81 -49.59 5.52 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 126.795 2.038 . . . . 0.0 112.514 -170.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 94.3 p -63.3 -27.41 69.31 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 -175.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -29.63 70.79 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.927 -0.483 . . . . 0.0 112.256 173.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.35 -37.23 74.6 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.204 0.911 . . . . 0.0 110.042 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.8 mt -71.43 -45.29 63.07 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.821 1.648 . . . . 0.0 110.834 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -60.84 -39.4 88.94 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.58 1.152 . . . . 0.0 112.532 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -73.91 -36.91 64.77 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 121.672 0.749 . . . . 0.0 110.368 -174.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.09 -50.28 72.55 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.675 1.59 . . . . 0.0 114.124 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -70.2 -18.15 63.17 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.965 0.802 . . . . 0.0 111.968 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.3 t -84.1 -30.21 26.15 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.035 1.334 . . . . 0.0 112.716 175.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -74.57 -43.35 56.12 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.115 1.366 . . . . 0.0 111.539 175.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.49 -7.28 8.48 Favored Glycine 0 C--N 1.34 0.793 0 C-N-CA 124.757 1.17 . . . . 0.0 114.274 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -65.26 150.9 47.44 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.113 1.457 . . . . 0.0 112.172 173.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -98.46 -1.76 40.59 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.084 1.354 . . . . 0.0 113.067 -174.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -169.55 146.89 3.45 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.498 1.919 . . . . 0.0 109.974 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 t -137.57 179.24 6.53 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.74 1.216 . . . . 0.0 112.091 178.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -124.19 149.7 46.06 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.725 1.61 . . . . 0.0 112.187 -172.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.3 ptt? -157.17 148.62 22.13 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.16 1.384 . . . . 0.0 112.434 -174.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.09 144.54 31.16 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.086 1.754 . . . . 0.0 110.147 177.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.84 -151.71 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.851 1.26 . . . . 0.0 112.196 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.58 -17.48 22.17 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.95 17.18 0.03 OUTLIER Glycine 0 CA--C 1.532 1.121 0 N-CA-C 116.633 1.413 . . . . 0.0 116.633 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -149.69 150.98 32.93 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.779 1.289 . . . . 0.0 112.221 -170.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.15 124.57 35.47 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 168.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -114.3 134.38 54.99 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.52 1.128 . . . . 0.0 111.617 171.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 32.3 t -87.1 116.71 29.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 169.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.85 112.31 23.1 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.699 1.2 . . . . 0.0 108.913 173.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -87.65 111.57 21.42 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.184 1.394 . . . . 0.0 110.152 177.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.8 mp -81.41 -18.74 44.37 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.521 1.128 . . . . 0.0 111.74 -178.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -62.71 -52.73 62.11 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.872 0.869 . . . . 0.0 112.435 176.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -103.68 -5.12 22.9 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.355 1.462 . . . . 0.0 112.313 -174.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.4 mmt 56.34 59.09 3.82 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.151 1.78 . . . . 0.0 111.006 -171.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.43 176.09 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 124.708 1.203 . . . . 0.0 110.431 174.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.51 158.78 43.39 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 124.626 1.17 . . . . 0.0 110.737 171.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -166.67 165.06 16.75 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.953 1.701 . . . . 0.0 112.514 -175.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 -71.57 153.29 42.25 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.062 -1.024 . . . . 0.0 111.793 173.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 62.3 mtp85 -58.33 -23.11 55.62 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 171.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -67.16 -34.6 77.89 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.745 1.218 . . . . 0.0 113.687 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -168.1 141.65 3.27 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.096 1.358 . . . . 0.0 112.167 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -76.5 -11.44 59.88 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.742 1.217 . . . . 0.0 113.658 169.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -54.59 -63.21 5.42 Favored Glycine 0 N--CA 1.471 1.022 0 C-N-CA 126.928 2.204 . . . . 0.0 112.369 -176.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.59 95.33 4.53 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.019 0.91 . . . . 0.0 108.89 168.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.9 ptt-85 -118.56 156.6 28.87 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.406 1.482 . . . . 0.0 112.067 172.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -134.88 141.21 46.28 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 126.243 1.817 . . . . 0.0 109.355 -176.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -67.94 141.43 56.33 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.7 pt -124.87 170.52 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.539 1.536 . . . . 0.0 109.991 169.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 43.6 pttt -155.23 165.58 36.21 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.707 1.203 . . . . 0.0 112.932 173.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -102.97 149.09 24.88 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.715 2.006 . . . . 0.0 109.547 168.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -152.83 177.95 10.18 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.657 1.183 . . . . 0.0 112.237 176.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.3 mm -131.25 137.84 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 126.182 1.793 . . . . 0.0 109.382 -178.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.661 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.4 mp -87.05 143.65 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 123.722 0.809 . . . . 0.0 110.519 174.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -95.24 -29.32 14.57 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 23.5 mm . . . . . 0 N--CA 1.484 1.257 0 C-N-CA 128.871 2.868 . . . . 0.0 112.109 178.283 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 mt . . . . . 0 CA--C 1.539 0.534 0 N-CA-C 111.566 0.21 . . . . 0.0 111.566 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.5 mt -82.31 179.35 7.83 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 122.981 1.372 . . . . 0.0 113.359 -175.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.8 m -89.34 155.8 48.72 Favored Pre-proline 0 CA--C 1.541 0.603 0 C-N-CA 126.817 2.047 . . . . 0.0 112.229 176.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -63.62 -16.55 55.34 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 124.21 3.273 . . . . 0.0 113.483 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -87.67 -30.35 20.47 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.503 1.121 . . . . 0.0 112.362 176.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -68.5 -48.65 63.85 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.866 1.267 . . . . 0.0 111.609 -176.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mt -64.45 -45.56 86.93 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.833 1.653 . . . . 0.0 109.895 -177.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.89 -42.16 98.74 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.397 1.079 . . . . 0.0 111.849 173.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 0.579 0 CA-C-N 119.108 0.867 . . . . 0.0 112.492 177.855 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.537 0.456 0 CA-C-O 120.54 0.21 . . . . 0.0 111.55 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.0 p90 -171.18 152.03 3.32 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.634 1.574 . . . . 0.0 112.172 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.693 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -152.94 155.17 36.48 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.503 1.521 . . . . 0.0 110.872 176.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 27.5 m95 -117.97 145.97 44.33 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.806 1.243 . . . . 0.0 109.493 173.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -134.22 154.89 50.99 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.208 1.403 . . . . 0.0 111.398 -175.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -136.34 150.13 48.7 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.876 1.671 . . . . 0.0 110.968 177.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -74.6 117.45 16.45 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.574 0.624 . . . . 0.0 110.937 172.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.13 -159.56 33.35 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 125.501 1.524 . . . . 0.0 112.155 169.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -67.17 -28.85 68.45 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.207 1.003 . . . . 0.0 113.573 -178.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -134.45 -3.13 2.7 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 117.533 2.419 . . . . 0.0 117.533 -168.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.72 -171.15 43.93 Favored Glycine 0 N--CA 1.471 1.029 0 C-N-CA 125.43 1.49 . . . . 0.0 114.062 173.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -76.62 130.31 37.64 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.882 0.873 . . . . 0.0 110.923 169.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 69.7 m95 -130.12 145.23 51.68 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.99 1.316 . . . . 0.0 111.016 -177.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -84.23 139.94 32.02 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.281 0.632 . . . . 0.0 112.178 -169.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -68.8 156.48 38.29 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.97 0.908 . . . . 0.0 112.305 168.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -62.98 154.42 30.62 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.603 1.161 . . . . 0.0 112.447 175.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -66.86 -20.98 66.02 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.758 1.223 . . . . 0.0 113.183 -176.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 -94.27 -12.09 28.83 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.303 1.041 . . . . 0.0 112.223 176.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.0 m -97.0 -54.02 3.32 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.284 1.433 . . . . 0.0 111.255 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.4 p -59.03 -30.6 68.14 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -178.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -24.58 67.79 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.958 0.903 . . . . 0.0 113.077 174.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -80.11 -39.08 30.31 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.876 0.762 . . . . 0.0 110.253 177.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.0 mt -64.6 -43.69 93.01 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.05 1.34 . . . . 0.0 110.884 175.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -61.45 -28.23 69.13 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.061 1.344 . . . . 0.0 112.911 174.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -83.77 -30.39 26.67 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.032 -1.043 . . . . 0.0 112.313 -178.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.91 79.44 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.701 1.2 . . . . 0.0 113.973 -175.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -68.32 -24.6 64.85 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.82 0.736 . . . . 0.0 111.499 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.8 t -78.37 -29.29 47.34 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.957 1.303 . . . . 0.0 112.579 177.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -73.52 -42.44 61.75 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.716 1.206 . . . . 0.0 111.264 169.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.48 -7.73 7.91 Favored Glycine 0 C--N 1.341 0.843 0 C-N-CA 125.502 1.525 . . . . 0.0 114.192 176.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -63.85 155.9 29.11 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.242 1.521 . . . . 0.0 112.808 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -101.5 -2.07 31.57 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.169 1.388 . . . . 0.0 113.364 -176.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -169.22 141.17 2.5 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.886 2.074 . . . . 0.0 109.746 176.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.1 t -130.43 -178.23 4.68 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.914 1.285 . . . . 0.0 111.847 178.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -129.23 145.85 51.26 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 125.66 1.584 . . . . 0.0 111.594 -171.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.4 ptt? -151.51 148.33 27.91 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.093 1.357 . . . . 0.0 112.184 -174.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.55 142.41 34.34 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.806 1.642 . . . . 0.0 110.035 178.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.4 -152.96 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 125.034 1.333 . . . . 0.0 111.862 -179.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.46 -15.82 19.88 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 115.648 1.722 . . . . 0.0 115.648 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.7 15.28 0.03 OUTLIER Glycine 0 CA--C 1.534 1.249 0 N-CA-C 116.694 1.438 . . . . 0.0 116.694 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -150.03 153.28 36.23 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.781 1.291 . . . . 0.0 112.007 -169.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.58 124.5 37.62 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.521 1.128 . . . . 0.0 108.076 169.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -113.99 131.79 56.21 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.644 1.178 . . . . 0.0 111.341 170.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.0 t -85.74 116.17 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 125.832 1.653 . . . . 0.0 106.99 173.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.3 109.77 20.86 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.79 1.236 . . . . 0.0 109.038 174.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -86.86 114.58 23.63 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.308 1.443 . . . . 0.0 110.357 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.4 mp -83.44 -18.32 39.06 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.917 1.287 . . . . 0.0 112.095 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -65.96 -53.12 43.09 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.023 0.829 . . . . 0.0 112.021 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -101.79 -8.84 21.33 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.828 1.651 . . . . 0.0 111.991 -174.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 56.71 65.32 1.43 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.475 1.91 . . . . 0.0 110.725 -173.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.3 m -138.55 172.59 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 125.829 1.652 . . . . 0.0 110.494 175.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.1 141.26 29.92 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.798 0.839 . . . . 0.0 111.92 175.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -151.85 160.26 43.6 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.426 1.49 . . . . 0.0 113.868 -174.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -71.44 143.02 50.23 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.9 0.88 . . . . 0.0 111.236 173.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 72.9 mtp85 -52.12 -26.98 12.56 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -66.11 -30.88 71.46 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -177.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -166.27 124.12 1.43 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.141 0.976 . . . . 0.0 112.259 -172.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -68.78 -15.77 63.6 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -73.52 -22.33 78.62 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 125.504 1.526 . . . . 0.0 113.953 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -87.73 62.78 7.17 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.016 1.326 . . . . 0.0 110.324 174.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.3 ptt-85 -112.94 149.62 32.96 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.954 1.302 . . . . 0.0 114.456 -171.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -130.1 143.14 50.62 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.016 2.126 . . . . 0.0 109.869 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt -65.95 142.54 57.83 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.285 1.034 . . . . 0.0 113.203 179.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.3 pt -130.12 166.87 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.089 1.356 . . . . 0.0 111.479 170.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -156.45 165.34 36.59 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.485 1.514 . . . . 0.0 112.613 177.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.6 mtp-105 -102.5 152.62 20.93 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.458 1.503 . . . . 0.0 111.267 169.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.2 -179.24 7.35 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.431 1.492 . . . . 0.0 111.876 171.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.0 mm -128.23 140.5 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 126.417 1.887 . . . . 0.0 110.151 -177.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.693 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.1 mp -92.11 140.6 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 123.89 0.876 . . . . 0.0 110.393 171.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -106.8 -17.54 14.18 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.0 mm . . . . . 0 N--CA 1.485 1.324 0 C-N-CA 129.24 3.016 . . . . 0.0 111.886 176.345 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mt . . . . . 0 CA--C 1.538 0.51 0 N-CA-C 111.376 0.139 . . . . 0.0 111.376 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.4 mt -83.51 -176.81 6.49 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 122.801 1.286 . . . . 0.0 113.118 -175.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.1 m -101.29 158.56 31.55 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 127.002 2.121 . . . . 0.0 112.094 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -61.48 -23.37 76.55 Favored 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 124.242 3.294 . . . . 0.0 113.26 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -87.73 -11.57 47.81 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.531 1.132 . . . . 0.0 113.902 176.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -86.57 -51.37 6.2 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.674 1.19 . . . . 0.0 111.114 175.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.25 -46.97 88.19 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.979 1.712 . . . . 0.0 110.666 -176.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -62.87 -38.92 92.78 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.101 173.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.628 0 CA-C-N 119.099 0.863 . . . . 0.0 113.063 179.209 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 CA--C 1.537 0.446 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -172.16 150.67 2.49 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.719 1.607 . . . . 0.0 112.835 178.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.714 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -154.35 150.8 28.33 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.261 1.424 . . . . 0.0 112.423 177.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 67.4 m95 -96.54 145.09 26.02 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.044 1.338 . . . . 0.0 111.252 172.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -138.25 157.19 46.76 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.215 1.406 . . . . 0.0 112.394 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -138.9 148.87 44.17 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.758 1.623 . . . . 0.0 111.561 174.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -77.68 115.82 17.74 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 118.26 0.482 . . . . 0.0 109.97 171.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -115.32 -139.29 6.79 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 125.348 1.451 . . . . 0.0 112.783 177.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 47.1 ptt85 -54.7 -32.55 59.7 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 116.624 2.083 . . . . 0.0 116.624 -170.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -143.11 -9.12 0.78 Allowed 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -173.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 164.24 -159.6 32.48 Favored Glycine 0 N--CA 1.469 0.876 0 C-N-CA 125.361 1.458 . . . . 0.0 112.388 -176.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -67.97 130.61 43.49 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.941 0.896 . . . . 0.0 112.47 176.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.9 m95 -130.2 141.04 50.68 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.94 1.696 . . . . 0.0 110.199 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -79.14 141.06 37.59 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.401 0.68 . . . . 0.0 110.982 -174.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -68.17 158.39 33.29 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 172.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -72.72 154.22 40.79 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.679 1.192 . . . . 0.0 112.038 172.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -68.44 -20.66 64.65 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.684 1.194 . . . . 0.0 113.311 -176.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -93.67 -10.83 33.14 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.181 0.993 . . . . 0.0 112.286 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.9 m -100.28 -53.39 3.13 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.276 1.43 . . . . 0.0 111.387 177.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 65.0 p -58.92 -28.55 66.32 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -24.77 67.72 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.98 0.912 . . . . 0.0 113.247 173.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -76.42 -36.74 57.84 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.942 0.792 . . . . 0.0 110.463 176.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.1 mt -72.13 -41.14 67.53 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.639 1.576 . . . . 0.0 110.799 178.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -56.66 -36.51 69.62 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.041 1.736 . . . . 0.0 112.48 169.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -80.13 -38.38 31.65 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.04 -1.037 . . . . 0.0 111.466 -175.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.41 -50.11 71.1 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.26 1.424 . . . . 0.0 113.971 -175.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -67.33 -24.0 65.68 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.266 0.484 . . . . 0.0 111.589 177.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -78.5 -30.64 47.32 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.708 1.203 . . . . 0.0 112.654 176.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -73.5 -42.9 61.22 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.659 1.184 . . . . 0.0 111.972 174.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.94 -7.24 8.8 Favored Glycine 0 N--CA 1.468 0.803 0 C-N-CA 124.895 1.236 . . . . 0.0 114.252 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -64.65 153.31 39.86 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.059 1.429 . . . . 0.0 112.317 172.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -97.85 -3.45 38.69 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.789 1.236 . . . . 0.0 113.356 -176.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -170.12 153.61 4.67 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 126.332 1.853 . . . . 0.0 110.176 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 t -147.39 176.38 10.06 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.372 1.469 . . . . 0.0 111.411 -175.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -125.42 144.93 50.29 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 125.202 1.401 . . . . 0.0 111.695 -169.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 10.3 ptt? -151.67 147.26 26.52 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.046 1.338 . . . . 0.0 112.255 -174.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.84 142.93 33.53 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.819 1.648 . . . . 0.0 110.299 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.58 -152.24 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.97 1.308 . . . . 0.0 112.162 -179.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.63 -16.83 17.78 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.59 14.78 0.03 OUTLIER Glycine 0 CA--C 1.534 1.22 0 N-CA-C 116.597 1.399 . . . . 0.0 116.597 178.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -148.61 153.56 38.49 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.909 1.354 . . . . 0.0 112.198 -169.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.21 125.02 37.59 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.524 1.129 . . . . 0.0 108.234 169.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -113.9 132.76 55.8 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.839 1.256 . . . . 0.0 111.429 171.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.8 t -89.47 120.79 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 C-N-CA 125.888 1.675 . . . . 0.0 107.206 171.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.02 121.21 41.38 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.332 1.453 . . . . 0.0 109.893 177.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -104.64 119.85 39.95 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.844 1.658 . . . . 0.0 111.069 -174.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.2 mt -78.98 -16.22 57.22 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.618 1.567 . . . . 0.0 113.821 -176.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -85.96 -47.53 9.53 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.946 0.898 . . . . 0.0 112.103 -173.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -94.84 -11.84 28.08 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.555 1.542 . . . . 0.0 111.878 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mmt 54.96 64.54 1.77 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.55 1.94 . . . . 0.0 111.198 -172.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.6 m -140.04 168.36 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.83 1.252 . . . . 0.0 111.304 176.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -126.98 152.77 46.76 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.599 1.56 . . . . 0.0 110.531 170.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -160.85 161.98 32.05 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.304 1.441 . . . . 0.0 113.642 176.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -70.95 149.37 46.76 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.348 0.659 . . . . 0.0 111.225 169.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 70.7 mtp85 -57.52 -25.23 59.56 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -178.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -67.51 -32.02 72.55 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 -174.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -165.03 126.01 2.01 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.554 1.142 . . . . 0.0 111.563 -175.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -66.94 -15.94 64.02 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.67 -19.9 79.72 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.361 1.457 . . . . 0.0 114.092 177.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.6 tpt85 -86.25 62.07 7.21 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.11 1.364 . . . . 0.0 109.692 175.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -115.41 156.31 25.81 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 -169.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 80.9 mtt85 -134.38 146.31 49.77 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 127.043 2.137 . . . . 0.0 110.163 172.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -67.56 142.89 56.36 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.684 1.194 . . . . 0.0 114.003 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.1 pt -123.68 166.99 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.301 1.44 . . . . 0.0 109.843 168.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -154.26 170.54 21.01 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.225 1.41 . . . . 0.0 111.871 175.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -120.04 139.27 52.77 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.277 1.431 . . . . 0.0 109.225 169.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -141.57 -177.98 5.42 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.898 1.679 . . . . 0.0 111.581 -173.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.2 mm -130.84 136.83 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 125.57 1.548 . . . . 0.0 110.101 -172.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.714 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.3 mp -86.95 143.48 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.121 0.968 . . . . 0.0 110.844 174.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -96.14 -26.47 15.46 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.5 mm . . . . . 0 N--CA 1.486 1.338 0 C-N-CA 129.154 2.981 . . . . 0.0 111.835 179.075 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.541 0.622 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.9 mt -89.95 -179.75 5.78 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.934 1.294 . . . . 0.0 112.451 -177.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.0 m -92.01 157.07 41.71 Favored Pre-proline 0 CA--C 1.539 0.544 0 C-N-CA 126.197 1.799 . . . . 0.0 111.722 174.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -61.35 -21.96 73.25 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 123.881 3.054 . . . . 0.0 113.07 177.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -78.41 -32.6 48.77 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.251 1.021 . . . . 0.0 112.398 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -70.76 -48.45 54.32 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.967 1.307 . . . . 0.0 111.983 -174.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mt -63.8 -41.56 97.89 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.813 1.645 . . . . 0.0 110.202 -177.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -64.54 -46.41 82.98 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.584 0.754 . . . . 0.0 111.983 169.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.609 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -177.525 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.466 0.366 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -172.24 153.61 3.08 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.077 1.751 . . . . 0.0 112.105 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.709 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -153.13 152.46 31.3 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.952 1.701 . . . . 0.0 110.223 175.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -118.6 146.44 44.62 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 124.626 1.17 . . . . 0.0 109.692 173.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -136.78 157.47 46.69 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.765 1.226 . . . . 0.0 111.456 -177.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -136.02 149.51 48.84 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.503 1.521 . . . . 0.0 111.385 175.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -75.48 91.73 2.81 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.327 0.512 . . . . 0.0 111.481 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.38 -177.88 52.11 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 124.363 0.983 . . . . 0.0 112.703 173.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -60.0 -33.91 72.63 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -171.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -108.45 -7.08 15.88 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 -177.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 151.54 -171.05 31.09 Favored Glycine 0 N--CA 1.473 1.126 0 C-N-CA 125.92 1.724 . . . . 0.0 112.805 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -63.58 127.11 29.86 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.259 0.624 . . . . 0.0 111.643 172.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -125.23 142.72 51.32 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.407 1.083 . . . . 0.0 111.31 175.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -82.1 138.28 34.82 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.729 0.812 . . . . 0.0 111.328 -172.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -69.16 150.67 47.26 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.757 0.823 . . . . 0.0 111.861 169.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -58.73 154.0 15.59 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.283 1.433 . . . . 0.0 112.791 176.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -68.11 -19.79 64.87 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.478 1.111 . . . . 0.0 113.285 -174.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.3 mmt85 -95.35 -12.0 26.81 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.41 1.084 . . . . 0.0 112.042 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.5 m -97.4 -53.59 3.41 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.5 1.52 . . . . 0.0 111.241 176.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.5 p -58.06 -30.66 66.38 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.129 0.972 . . . . 0.0 113.225 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -27.97 69.77 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 174.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -73.07 -39.33 65.96 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.921 0.782 . . . . 0.0 109.904 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.8 mt -66.88 -44.38 81.03 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.718 1.607 . . . . 0.0 110.608 177.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -62.49 -31.05 71.74 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.313 1.445 . . . . 0.0 112.923 175.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -80.78 -36.81 31.33 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.246 -0.909 . . . . 0.0 110.778 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.44 -49.11 76.76 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.787 1.235 . . . . 0.0 114.114 -174.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -69.45 -19.02 63.78 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.79 0.723 . . . . 0.0 111.96 176.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.2 t -83.17 -31.0 27.36 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.916 1.286 . . . . 0.0 112.604 175.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -73.49 -42.34 61.96 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.113 1.365 . . . . 0.0 111.682 175.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.7 -7.38 8.34 Favored Glycine 0 C--N 1.34 0.779 0 C-N-CA 124.924 1.25 . . . . 0.0 114.174 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -65.34 151.66 45.71 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 119.158 1.479 . . . . 0.0 112.48 173.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -98.85 -0.41 42.49 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.161 1.384 . . . . 0.0 113.091 -175.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -171.64 147.92 2.37 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 126.885 2.074 . . . . 0.0 109.553 176.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.4 t -136.55 179.58 6.28 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.375 1.07 . . . . 0.0 111.748 178.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -128.92 146.57 50.92 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 125.631 1.573 . . . . 0.0 111.592 -171.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.2 ptt? -152.21 146.7 25.64 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.954 1.302 . . . . 0.0 112.101 -174.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.93 142.56 33.03 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.807 1.643 . . . . 0.0 109.93 177.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.32 -152.79 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.872 1.269 . . . . 0.0 111.734 -179.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.24 -15.9 18.06 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 115.556 1.687 . . . . 0.0 115.556 178.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.92 15.58 0.03 OUTLIER Glycine 0 CA--C 1.533 1.179 0 N-CA-C 116.803 1.481 . . . . 0.0 116.803 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -149.97 154.28 37.98 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.839 1.319 . . . . 0.0 111.993 -169.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.63 124.38 38.63 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.416 1.086 . . . . 0.0 108.079 169.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -112.68 130.9 55.89 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.46 1.104 . . . . 0.0 111.461 170.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.5 t -83.68 120.49 34.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 106.797 -1.556 . . . . 0.0 106.797 169.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.47 108.39 19.87 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 124.166 0.986 . . . . 0.0 108.458 170.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -82.21 111.81 18.65 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.374 1.47 . . . . 0.0 109.163 176.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.8 mp -86.92 -8.47 57.22 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.905 1.282 . . . . 0.0 112.46 -177.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -79.03 -52.61 7.98 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.417 1.008 . . . . 0.0 111.015 173.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -94.43 -10.07 33.58 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.339 1.856 . . . . 0.0 112.128 -173.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.3 mmt 55.96 64.81 1.61 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.659 1.984 . . . . 0.0 111.329 -173.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.9 m -142.76 154.29 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 O-C-N 121.238 -0.914 . . . . 0.0 112.347 178.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -101.3 145.97 28.17 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.814 0.846 . . . . 0.0 109.707 168.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -161.53 160.25 28.81 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.706 1.202 . . . . 0.0 113.783 171.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -79.27 137.1 37.24 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.975 1.31 . . . . 0.0 111.175 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -47.45 -45.85 26.25 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.356 1.462 . . . . 0.0 114.516 -175.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -92.43 0.44 57.44 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.961 1.304 . . . . 0.0 113.759 -175.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -148.01 50.23 1.04 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.604 1.562 . . . . 0.0 109.639 -169.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 39.0 p-80 -64.86 -18.17 64.92 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -169.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.83 -37.21 92.12 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.941 1.258 . . . . 0.0 112.617 175.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.8 mmm-85 -71.35 102.36 2.59 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.053 0.941 . . . . 0.0 109.569 169.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 31.6 ptt-85 -146.51 162.9 37.33 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.552 1.141 . . . . 0.0 113.435 -174.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.4 ptt-85 -158.25 149.94 21.43 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.814 1.646 . . . . 0.0 111.339 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -64.47 144.64 57.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.583 1.553 . . . . 0.0 114.003 -172.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.9 pt -122.15 170.48 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.913 1.685 . . . . 0.0 110.681 170.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.7 pttt -155.73 165.75 35.58 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.719 1.208 . . . . 0.0 113.07 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.7 mtp-105 -103.92 152.23 22.21 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.548 1.539 . . . . 0.0 110.647 167.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -150.28 168.57 23.67 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.368 1.867 . . . . 0.0 110.939 172.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.3 mm -123.97 134.63 65.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.508 1.523 . . . . 0.0 109.074 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.709 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.4 mp -85.62 141.11 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 123.745 0.818 . . . . 0.0 110.611 175.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -99.18 -22.06 15.83 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 23.2 mm . . . . . 0 N--CA 1.486 1.326 0 C-N-CA 128.874 2.87 . . . . 0.0 112.005 176.391 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.543 0.68 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.3 mt -93.06 -177.8 4.6 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.951 1.301 . . . . 0.0 112.783 -176.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 m -93.9 156.28 39.46 Favored Pre-proline 0 CA--C 1.539 0.55 0 C-N-CA 126.838 2.055 . . . . 0.0 112.347 177.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -60.54 -22.36 71.9 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 123.856 3.037 . . . . 0.0 113.014 176.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -87.27 -11.94 48.12 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.523 1.129 . . . . 0.0 113.253 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -88.55 -51.0 5.93 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.962 1.305 . . . . 0.0 110.736 175.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mt -61.03 -48.65 80.79 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 125.488 1.515 . . . . 0.0 110.523 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -64.67 -28.3 69.51 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 176.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.613 0 C-N-CA 123.748 0.819 . . . . 0.0 112.096 175.039 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.469 0.5 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.2 p90 -171.46 152.01 3.16 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.269 1.828 . . . . 0.0 112.662 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.655 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -155.62 157.38 36.63 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.465 1.506 . . . . 0.0 111.321 176.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -111.51 149.8 30.85 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.476 1.11 . . . . 0.0 110.074 169.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -135.85 157.06 47.79 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.003 1.321 . . . . 0.0 111.527 178.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -136.76 148.33 47.18 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.061 1.344 . . . . 0.0 112.062 176.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.38 100.96 10.3 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.856 1.262 . . . . 0.0 109.015 -177.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.99 -143.16 8.5 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 124.684 1.135 . . . . 0.0 112.388 -176.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -89.72 -23.87 21.7 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.267 1.027 . . . . 0.0 113.63 -178.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -124.86 -6.2 7.38 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.992 1.478 . . . . 0.0 114.992 -175.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 155.26 -168.61 33.12 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 125.65 1.595 . . . . 0.0 113.13 178.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -68.58 128.21 35.8 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.586 0.754 . . . . 0.0 111.372 171.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 43.8 m95 -126.38 141.47 51.89 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.121 1.368 . . . . 0.0 110.979 177.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -79.41 139.15 37.78 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.287 0.635 . . . . 0.0 111.122 -173.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -68.79 158.49 34.26 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.931 0.892 . . . . 0.0 113.239 170.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -69.26 154.87 41.35 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.332 1.053 . . . . 0.0 112.15 171.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -68.12 -21.29 64.94 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.632 1.173 . . . . 0.0 113.362 -176.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.7 mmt85 -93.41 -13.98 27.34 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.003 0.921 . . . . 0.0 112.149 177.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.1 m -95.9 -52.62 3.99 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.235 1.414 . . . . 0.0 111.281 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.1 p -59.34 -29.31 67.57 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.321 0.859 . . . . 0.0 113.321 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -28.42 69.97 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 119.006 -0.521 . . . . 0.0 112.289 174.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -72.24 -38.33 68.93 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.08 0.854 . . . . 0.0 109.989 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.4 mt -68.71 -44.69 73.39 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.744 1.618 . . . . 0.0 110.699 177.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -62.43 -32.84 73.76 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.54 1.536 . . . . 0.0 112.871 176.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -81.2 -35.07 31.82 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.265 1.026 . . . . 0.0 111.158 -178.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.68 -49.5 74.87 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.754 1.222 . . . . 0.0 114.146 -175.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -68.57 -21.59 64.52 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 118.928 0.786 . . . . 0.0 111.826 176.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.1 t -80.69 -30.68 36.41 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.892 1.277 . . . . 0.0 112.547 176.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -73.62 -42.73 61.1 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.126 1.37 . . . . 0.0 111.703 173.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.51 -7.44 7.93 Favored Glycine 0 N--CA 1.468 0.833 0 C-N-CA 124.964 1.268 . . . . 0.0 114.171 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -65.89 151.83 45.84 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.255 1.527 . . . . 0.0 112.414 173.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -99.64 0.69 42.55 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.196 1.398 . . . . 0.0 113.31 -175.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -171.72 147.23 2.24 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.884 2.074 . . . . 0.0 109.496 176.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.2 t -136.25 176.95 8.23 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.177 0.991 . . . . 0.0 112.001 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -125.1 147.71 48.87 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 125.705 1.602 . . . . 0.0 111.627 -171.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.1 ptt? -155.07 146.13 22.68 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.777 1.231 . . . . 0.0 112.226 -174.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.54 143.02 32.03 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.842 1.657 . . . . 0.0 110.131 177.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.31 -151.94 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.069 1.348 . . . . 0.0 111.794 -178.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.27 -17.48 29.04 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 178.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.83 16.91 0.03 OUTLIER Glycine 0 CA--C 1.534 1.22 0 N-CA-C 116.53 1.372 . . . . 0.0 116.53 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -148.71 152.29 36.38 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.735 1.267 . . . . 0.0 111.899 -171.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.45 122.09 35.53 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 168.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -109.37 130.18 55.51 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 124.691 1.196 . . . . 0.0 110.954 171.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.3 t -86.41 116.04 28.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 170.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.62 110.82 20.66 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.292 1.037 . . . . 0.0 108.81 172.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -84.16 110.81 18.8 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.785 1.634 . . . . 0.0 109.379 178.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.8 mp -86.07 -9.0 57.5 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.695 1.198 . . . . 0.0 112.624 -177.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -77.87 -50.3 12.53 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.085 0.857 . . . . 0.0 111.502 174.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -99.19 -10.18 22.78 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.201 1.801 . . . . 0.0 112.048 -172.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.4 mmt 54.19 65.49 1.49 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.406 1.882 . . . . 0.0 111.122 -172.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.7 m -139.22 168.84 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 125.506 1.522 . . . . 0.0 110.818 174.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -122.62 147.2 46.71 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.723 1.609 . . . . 0.0 110.113 169.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -155.52 150.85 26.98 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.968 1.307 . . . . 0.0 112.53 174.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -78.92 141.99 37.12 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.834 1.654 . . . . 0.0 111.428 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -58.63 -18.89 34.26 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -175.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -75.34 -21.09 58.65 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -156.64 127.41 6.75 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 122.371 1.081 . . . . 0.0 112.72 177.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -86.28 -26.19 25.1 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.459 1.103 . . . . 0.0 113.653 -173.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -76.57 -47.28 10.39 Favored Glycine 0 N--CA 1.471 0.989 0 C-N-CA 124.168 0.89 . . . . 0.0 112.315 -174.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -66.15 114.36 5.21 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.315 1.046 . . . . 0.0 109.355 172.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.7 ptt-85 -150.82 156.99 42.37 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.079 1.352 . . . . 0.0 112.184 -171.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -129.89 144.69 51.45 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.567 1.547 . . . . 0.0 110.065 177.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.3 mmmt -65.51 147.33 53.59 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.46 1.104 . . . . 0.0 113.773 -177.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.8 pt -130.55 167.16 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 124.879 1.272 . . . . 0.0 110.269 168.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 43.6 pttt -155.33 165.55 36.29 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.835 1.254 . . . . 0.0 112.979 176.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -105.26 146.41 29.36 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.261 1.825 . . . . 0.0 109.597 168.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.22 179.6 8.38 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.411 1.484 . . . . 0.0 111.972 -178.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.9 mm -131.22 139.88 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 126.07 1.748 . . . . 0.0 110.204 -175.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.655 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.3 mp -90.24 141.19 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 123.951 0.901 . . . . 0.0 110.261 171.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -100.94 -18.47 16.31 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 26.2 mm . . . . . 0 N--CA 1.486 1.33 0 C-N-CA 128.766 2.826 . . . . 0.0 112.16 174.356 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 CA--C 1.542 0.648 0 N-CA-C 111.695 0.258 . . . . 0.0 111.695 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.3 mt -87.21 -178.55 6.25 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.933 1.293 . . . . 0.0 112.456 -177.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.7 m -94.18 157.78 37.08 Favored Pre-proline 0 CA--C 1.538 0.484 0 C-N-CA 126.349 1.86 . . . . 0.0 111.618 175.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -60.11 -25.3 79.49 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.737 2.958 . . . . 0.0 112.776 177.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -76.37 -33.48 58.91 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.346 1.058 . . . . 0.0 112.383 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -69.53 -48.93 58.85 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.801 1.24 . . . . 0.0 111.493 -177.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.3 mt -64.49 -47.19 79.88 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.687 1.595 . . . . 0.0 110.291 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -60.33 -38.72 84.62 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 171.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 0.691 0 CA-C-N 119.667 1.121 . . . . 0.0 112.615 176.354 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 . . . . . 0 N--CA 1.469 0.514 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -170.85 152.43 3.64 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.504 1.521 . . . . 0.0 112.583 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.671 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -153.13 158.62 42.1 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.95 1.7 . . . . 0.0 110.448 176.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -118.52 149.44 41.3 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.429 1.092 . . . . 0.0 109.993 170.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -137.46 155.89 48.8 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.968 1.307 . . . . 0.0 111.357 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -135.57 149.11 49.31 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.304 1.442 . . . . 0.0 111.282 174.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -80.94 104.07 11.2 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 118.26 0.482 . . . . 0.0 110.735 175.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.96 -156.22 27.19 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.356 0.979 . . . . 0.0 111.696 169.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 82.7 mmt-85 -61.28 -43.53 98.73 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.951 0.9 . . . . 0.0 113.422 -177.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -107.08 -9.92 16.05 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 -170.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 153.41 -161.61 29.84 Favored Glycine 0 N--CA 1.472 1.067 0 C-N-CA 125.275 1.417 . . . . 0.0 113.165 178.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -66.67 129.36 39.6 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.084 0.954 . . . . 0.0 112.378 174.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 61.3 m95 -129.47 139.26 51.64 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.408 1.483 . . . . 0.0 110.61 175.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -82.12 140.37 33.84 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.621 0.768 . . . . 0.0 111.557 -170.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -71.5 156.28 39.62 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.949 0.899 . . . . 0.0 112.854 169.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -66.04 156.32 34.13 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.811 1.244 . . . . 0.0 112.248 172.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -66.88 -22.1 65.98 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.634 1.174 . . . . 0.0 113.192 -176.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -92.74 -13.85 28.75 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.898 0.879 . . . . 0.0 112.23 177.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.4 m -95.86 -52.53 4.03 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.086 1.354 . . . . 0.0 111.314 176.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.3 p -59.88 -29.37 68.27 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -28.36 69.98 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-O 118.911 -0.566 . . . . 0.0 112.422 174.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -72.46 -39.03 68.08 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.107 0.867 . . . . 0.0 110.001 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.1 mt -67.69 -44.83 76.82 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.655 1.582 . . . . 0.0 110.669 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -63.84 -30.68 71.75 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.279 1.432 . . . . 0.0 112.83 176.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -81.69 -37.55 27.2 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.053 0.941 . . . . 0.0 110.954 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.96 -49.18 78.67 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.814 1.246 . . . . 0.0 114.157 -176.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -69.46 -18.66 63.73 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.722 0.692 . . . . 0.0 112.095 176.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.8 t -84.53 -30.07 25.42 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.012 1.325 . . . . 0.0 112.56 175.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -74.73 -42.61 57.97 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.135 1.374 . . . . 0.0 111.736 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.12 -7.49 8.1 Favored Glycine 0 C--N 1.34 0.802 0 C-N-CA 124.87 1.224 . . . . 0.0 114.199 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -65.8 151.16 47.27 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.116 1.458 . . . . 0.0 112.266 172.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.9 pttt -98.57 -0.73 42.6 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.891 1.276 . . . . 0.0 113.334 -175.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -170.42 146.57 2.85 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.88 2.072 . . . . 0.0 109.421 178.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 t -134.74 176.69 8.41 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.293 1.037 . . . . 0.0 111.904 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -126.57 145.36 50.57 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.569 1.547 . . . . 0.0 111.488 -172.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.6 ptt? -151.16 146.35 26.06 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.873 1.269 . . . . 0.0 112.077 -173.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.39 142.82 32.22 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.819 1.648 . . . . 0.0 109.906 177.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.82 -152.84 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.968 1.307 . . . . 0.0 111.635 -179.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.29 -16.07 19.56 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 178.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.72 16.13 0.03 OUTLIER Glycine 0 CA--C 1.534 1.264 0 N-CA-C 116.637 1.415 . . . . 0.0 116.637 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -150.28 152.66 34.86 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.841 1.321 . . . . 0.0 112.129 -169.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.14 124.78 37.36 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 169.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -113.4 130.21 56.35 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.574 1.15 . . . . 0.0 111.296 170.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.8 t -85.86 113.79 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 125.772 1.629 . . . . 0.0 107.093 171.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.45 108.51 19.42 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.378 1.071 . . . . 0.0 108.994 173.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -84.0 114.94 22.07 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.12 1.368 . . . . 0.0 110.495 176.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.0 mp -86.15 -13.37 47.29 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.953 1.301 . . . . 0.0 112.19 -178.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -65.99 -54.66 23.34 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.386 0.994 . . . . 0.0 111.78 174.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -101.86 -5.99 24.1 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.633 1.573 . . . . 0.0 112.424 -173.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.7 mmt 58.07 65.08 1.36 Allowed 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.79 2.036 . . . . 0.0 111.085 -173.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.5 m -140.34 170.25 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 124.235 1.014 . . . . 0.0 111.341 177.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -142.98 136.28 28.32 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.169 0.988 . . . . 0.0 111.774 177.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -151.47 163.64 38.54 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.965 1.706 . . . . 0.0 113.956 -172.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -73.37 148.01 43.79 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 121.331 -0.856 . . . . 0.0 111.64 172.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -54.91 -24.86 25.5 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -178.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -68.99 -30.84 69.33 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -177.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -165.2 129.13 2.35 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.68 0.792 . . . . 0.0 112.91 -171.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -65.36 -15.8 62.94 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 175.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.42 -17.03 79.74 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 125.689 1.614 . . . . 0.0 114.053 177.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.4 tpt85 -83.45 39.26 0.66 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.006 1.723 . . . . 0.0 111.441 175.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.8 ptt-85 -99.17 148.75 23.77 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 115.763 1.764 . . . . 0.0 115.763 -169.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -131.05 145.79 52.15 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 127.764 2.426 . . . . 0.0 109.549 172.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -65.86 143.06 57.69 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.333 1.053 . . . . 0.0 113.341 178.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.2 pt -125.79 168.78 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.973 1.309 . . . . 0.0 111.001 169.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -155.84 165.62 35.94 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.321 1.449 . . . . 0.0 112.901 174.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.9 mtp-105 -99.92 151.62 21.11 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.22 1.408 . . . . 0.0 109.243 166.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.03 178.63 9.49 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.16 1.384 . . . . 0.0 111.587 174.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.5 mm -130.61 140.34 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 125.546 1.539 . . . . 0.0 110.353 -175.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.671 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.1 mp -92.05 140.54 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.277 1.031 . . . . 0.0 110.673 171.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -104.38 -18.41 14.43 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.6 mm . . . . . 0 N--CA 1.486 1.336 0 C-N-CA 129.09 2.956 . . . . 0.0 111.628 178.004 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 CA--C 1.542 0.666 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.5 mt -77.52 -179.97 6.15 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 122.774 1.273 . . . . 0.0 112.46 175.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.7 m -86.53 155.21 56.73 Favored Pre-proline 0 CA--C 1.537 0.468 0 C-N-CA 126.149 1.78 . . . . 0.0 111.927 175.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -61.73 -22.1 73.63 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.612 2.875 . . . . 0.0 112.787 177.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -81.09 -31.27 34.41 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.212 1.005 . . . . 0.0 112.467 178.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -68.28 -49.22 61.97 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.032 1.333 . . . . 0.0 111.251 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 mt -67.05 -46.34 74.65 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 125.987 1.715 . . . . 0.0 110.477 -177.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -59.58 -40.18 86.52 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 118.461 -0.78 . . . . 0.0 112.551 170.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.541 0.632 0 CA-C-N 119.963 1.256 . . . . 0.0 112.559 176.706 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.537 0.479 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -170.99 151.4 3.28 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.917 1.687 . . . . 0.0 113.186 -179.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.656 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -155.17 158.84 39.56 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.045 1.738 . . . . 0.0 111.395 176.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 55.6 m95 -111.59 146.96 36.45 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.047 1.339 . . . . 0.0 111.127 172.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -137.8 155.16 49.31 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.39 1.476 . . . . 0.0 112.069 -178.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -129.44 152.77 48.62 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.838 1.655 . . . . 0.0 111.47 174.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -73.16 103.47 3.91 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 122.033 -0.417 . . . . 0.0 110.234 172.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -89.48 178.57 44.42 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 124.642 1.115 . . . . 0.0 112.236 170.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.3 ttm-85 -67.7 -29.08 68.24 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -172.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -106.27 -6.36 18.48 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.281 1.432 . . . . 0.0 114.475 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.0 -173.51 29.69 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 126.275 1.893 . . . . 0.0 112.665 179.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -63.02 129.65 41.29 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 122.145 -0.621 . . . . 0.0 111.868 171.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -127.87 144.42 51.09 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.398 1.079 . . . . 0.0 111.648 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -80.24 141.75 35.28 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.755 0.822 . . . . 0.0 111.22 -173.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -68.83 158.82 33.67 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 172.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -64.96 149.11 50.32 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.65 1.18 . . . . 0.0 111.767 170.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -69.01 -17.95 63.98 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.787 1.235 . . . . 0.0 113.424 -173.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 -95.14 -11.79 27.55 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.306 1.042 . . . . 0.0 111.777 175.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.5 m -95.04 -53.97 3.62 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.768 1.227 . . . . 0.0 110.794 173.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.5 p -59.25 -29.94 67.91 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -177.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -30.0 71.14 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 122.864 0.466 . . . . 0.0 112.255 175.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -70.44 -36.56 74.02 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.049 0.84 . . . . 0.0 110.116 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.7 mt -75.25 -40.32 59.06 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.171 1.788 . . . . 0.0 111.076 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -64.17 -44.18 92.85 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.008 0.923 . . . . 0.0 112.488 171.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -67.47 -36.56 81.38 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.563 0.697 . . . . 0.0 110.151 -175.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.87 -49.44 77.45 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.286 1.435 . . . . 0.0 113.842 175.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -66.17 -24.31 66.62 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.896 1.225 . . . . 0.0 111.82 174.247 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.8 t -80.82 -24.45 38.47 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.755 1.222 . . . . 0.0 113.585 177.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -81.69 -42.51 19.8 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.21 1.404 . . . . 0.0 112.088 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.48 -7.61 9.02 Favored Glycine 0 C--N 1.34 0.791 0 C-N-CA 124.776 1.179 . . . . 0.0 114.229 -176.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -65.61 155.4 35.94 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.169 1.484 . . . . 0.0 111.957 169.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.5 pttp -104.03 0.33 29.71 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.801 1.24 . . . . 0.0 113.284 -177.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -169.93 152.96 4.56 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 126.134 1.773 . . . . 0.0 110.664 177.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.9 t -148.56 176.05 10.65 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.505 1.522 . . . . 0.0 111.39 -175.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -121.35 145.76 47.56 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.318 1.447 . . . . 0.0 111.9 -172.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -153.59 155.31 35.87 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.176 1.39 . . . . 0.0 112.263 -177.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.55 143.28 33.93 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.997 1.719 . . . . 0.0 110.306 178.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.48 -153.07 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.011 1.324 . . . . 0.0 112.044 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.17 -17.26 17.48 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 115.61 1.708 . . . . 0.0 115.61 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.54 17.31 0.03 OUTLIER Glycine 0 CA--C 1.535 1.292 0 N-CA-C 116.351 1.3 . . . . 0.0 116.351 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -151.32 150.96 31.12 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.695 1.248 . . . . 0.0 112.559 -169.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.03 125.5 35.84 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.708 1.203 . . . . 0.0 107.947 169.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -119.58 137.4 53.87 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.779 1.232 . . . . 0.0 111.98 173.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 43.1 t -89.06 111.2 22.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 C-N-CA 125.72 1.608 . . . . 0.0 108.047 173.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.71 104.48 10.33 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.72 1.208 . . . . 0.0 110.336 173.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -81.46 110.61 17.02 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.666 1.586 . . . . 0.0 109.341 176.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 76.1 mt -81.16 -9.12 59.85 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.932 0.893 . . . . 0.0 112.49 -178.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -86.95 -51.03 6.27 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.475 1.11 . . . . 0.0 111.282 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -97.1 -9.6 27.68 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.773 2.029 . . . . 0.0 111.764 -174.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.9 mmt 59.98 59.14 2.51 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.93 2.092 . . . . 0.0 112.167 -178.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 16.7 m -145.19 158.48 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -175.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -116.61 134.71 54.5 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 127.056 2.142 . . . . 0.0 110.7 177.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -154.44 156.92 37.64 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.686 1.594 . . . . 0.0 111.952 176.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 79.1 mtt85 -72.1 152.66 42.2 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 121.119 -0.988 . . . . 0.0 110.76 173.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.8 mtp-105 -57.18 -21.65 34.71 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 -172.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -98.09 -4.11 36.51 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.595 1.558 . . . . 0.0 114.799 -177.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -137.36 163.56 30.71 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.712 1.142 . . . . 0.0 113.511 -172.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 27.1 p80 -138.76 -23.62 0.94 Allowed 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 173.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -75.6 -15.87 80.99 Favored Glycine 0 N--CA 1.477 1.385 0 C-N-CA 124.385 0.993 . . . . 0.0 114.706 -175.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -94.92 6.71 48.26 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.698 1.599 . . . . 0.0 112.716 177.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -56.51 138.81 51.13 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.634 1.174 . . . . 0.0 113.652 -172.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -126.25 137.16 53.49 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.668 1.587 . . . . 0.0 111.54 -171.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt -71.05 143.41 50.73 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 115.386 1.625 . . . . 0.0 115.386 -169.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 31.3 pt -132.93 173.04 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 127.087 2.155 . . . . 0.0 110.584 171.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.0 pttt -155.39 165.4 36.73 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.422 1.489 . . . . 0.0 112.265 174.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 46.1 mtm105 -102.14 146.06 28.48 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.258 1.423 . . . . 0.0 108.729 167.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.14 179.66 7.46 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.274 1.429 . . . . 0.0 111.608 178.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.8 mm -133.73 137.16 53.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 125.349 1.46 . . . . 0.0 110.358 -170.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.656 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.3 mp -89.42 143.26 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.241 1.016 . . . . 0.0 110.85 173.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -96.72 -28.51 14.26 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.9 mm . . . . . 0 N--CA 1.486 1.354 0 C-N-CA 129.07 2.948 . . . . 0.0 112.212 178.395 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo . . . . . 0 CA--C 1.538 0.698 0 N-CA-C 113.393 0.497 . . . . 0.0 113.393 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.0 p -166.67 165.23 16.66 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.566 1.546 . . . . 0.0 111.466 -176.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.8 t -160.88 151.73 18.52 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.551 1.14 . . . . 0.0 111.725 -178.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.12 -17.71 68.26 Favored Glycine 0 CA--C 1.534 1.27 0 O-C-N 121.634 -0.666 . . . . 0.0 112.884 169.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.9 m -79.98 -6.3 57.29 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.474 1.11 . . . . 0.0 113.319 173.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.4 m -79.42 -3.79 48.11 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.802 -1.186 . . . . 0.0 113.734 177.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.83 173.21 21.65 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 125.922 1.725 . . . . 0.0 113.702 176.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -77.74 167.79 20.98 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.842 1.257 . . . . 0.0 112.451 176.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.7 tp -145.15 140.57 28.06 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.775 1.63 . . . . 0.0 110.188 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -103.54 153.87 20.09 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.33 1.452 . . . . 0.0 112.629 -176.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -60.94 159.08 29.43 Favored Pre-proline 0 CA--C 1.552 1.049 0 C-N-CA 125.295 1.438 . . . . 0.0 113.124 169.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.61 169.19 17.91 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 123.645 2.896 . . . . 0.0 112.566 -174.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.0 t -171.49 -178.05 2.21 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.658 1.983 . . . . 0.0 110.488 -168.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.6 mt -105.45 -14.18 15.4 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 127.171 2.188 . . . . 0.0 110.756 173.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.0 mt -80.27 -169.78 2.23 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.504 1.521 . . . . 0.0 112.849 178.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 m -114.47 159.5 36.61 Favored Pre-proline 0 CA--C 1.541 0.604 0 C-N-CA 127.561 2.344 . . . . 0.0 111.394 -176.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -60.45 -26.78 83.54 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 123.978 3.119 . . . . 0.0 112.986 179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -83.85 -11.74 56.55 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -87.36 -51.2 6.08 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 124.617 1.167 . . . . 0.0 111.249 176.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.1 mt -58.43 -49.61 76.67 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.836 1.654 . . . . 0.0 111.037 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -58.75 -40.6 84.3 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.162 173.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.91 -36.41 72.69 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.088 0.858 . . . . 0.0 112.874 -179.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.21 -30.91 70.72 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.317 1.047 . . . . 0.0 112.874 174.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 25.2 t -86.54 -58.23 2.69 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.071 0.948 . . . . 0.0 112.139 177.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -68.66 -15.12 63.42 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 125.47 1.508 . . . . 0.0 114.446 -175.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.26 -17.03 71.8 Favored Glycine 0 CA--C 1.534 1.22 0 C-N-CA 124.889 1.233 . . . . 0.0 114.069 173.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -132.84 -45.81 0.87 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.483 1.113 . . . . 0.0 113.587 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.39 9.19 85.25 Favored Glycine 0 N--CA 1.476 1.362 0 C-N-CA 124.198 0.904 . . . . 0.0 113.551 -178.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.06 -177.66 6.34 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.747 2.019 . . . . 0.0 111.481 174.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 18.9 p90 -170.21 150.1 3.59 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 125.212 1.405 . . . . 0.0 113.727 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.671 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -152.2 156.58 40.05 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.748 1.619 . . . . 0.0 110.75 176.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -115.06 148.55 38.75 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 124.568 1.147 . . . . 0.0 110.369 172.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -138.74 159.67 41.55 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.972 1.309 . . . . 0.0 111.953 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -140.02 149.11 42.79 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.734 1.614 . . . . 0.0 111.128 174.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -79.35 113.21 17.31 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.618 -0.676 . . . . 0.0 111.789 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -97.37 -164.16 31.98 Favored Glycine 0 CA--C 1.533 1.198 0 C-N-CA 124.863 1.221 . . . . 0.0 111.774 168.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 67.1 ttt-85 -58.27 -43.74 88.09 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.451 1.1 . . . . 0.0 113.23 -177.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -105.45 -4.36 21.45 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 -169.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 148.4 -164.56 29.03 Favored Glycine 0 N--CA 1.472 1.036 0 C-N-CA 125.664 1.602 . . . . 0.0 113.238 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -68.73 131.5 45.28 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.076 0.951 . . . . 0.0 111.819 172.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -128.75 141.71 51.23 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.138 1.375 . . . . 0.0 110.974 177.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -81.4 141.78 33.62 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.037 0.935 . . . . 0.0 111.93 -169.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 51.2 m-85 -69.24 160.14 31.73 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.061 0.945 . . . . 0.0 113.013 169.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -66.11 148.96 51.03 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 123.516 0.726 . . . . 0.0 110.59 169.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -64.63 -20.89 66.55 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.27 -39.48 94.71 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.745 1.618 . . . . 0.0 111.811 169.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.4 m -95.51 -49.19 5.52 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 127.216 2.206 . . . . 0.0 112.698 -170.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.6 p -61.86 -30.04 70.59 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.184 0.809 . . . . 0.0 113.184 -174.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -26.22 68.36 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.53 0.732 . . . . 0.0 112.934 173.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -76.08 -39.9 54.33 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 118.698 0.681 . . . . 0.0 109.847 178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.9 mt -66.69 -44.28 82.16 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.628 1.571 . . . . 0.0 110.731 176.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -63.48 -30.22 71.37 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 125.122 1.369 . . . . 0.0 112.883 175.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -80.76 -28.54 36.39 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 121.063 -1.023 . . . . 0.0 111.476 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.17 -46.08 75.05 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -173.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -70.85 -19.57 62.63 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.659 0.663 . . . . 0.0 111.84 174.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.4 t -81.67 -31.83 32.07 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.885 1.274 . . . . 0.0 112.373 175.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -73.01 -42.49 63.16 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.093 1.357 . . . . 0.0 111.602 173.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.01 -6.85 9.4 Favored Glycine 0 C--N 1.341 0.827 0 C-N-CA 125.1 1.333 . . . . 0.0 114.091 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.18 153.29 42.82 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.197 1.499 . . . . 0.0 112.759 175.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -96.21 -6.83 37.24 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.317 1.447 . . . . 0.0 113.285 -176.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -166.45 142.02 4.58 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.659 1.984 . . . . 0.0 110.038 178.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.8 t -128.29 -179.97 5.3 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.104 1.361 . . . . 0.0 111.533 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -130.6 146.7 52.16 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 126.128 1.771 . . . . 0.0 111.42 -173.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.3 ptt? -151.31 146.59 26.13 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 124.872 1.269 . . . . 0.0 112.103 -174.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.95 142.13 33.71 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 125.697 1.599 . . . . 0.0 109.877 176.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.18 -151.62 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.901 1.28 . . . . 0.0 111.862 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.02 -17.88 29.33 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 178.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.91 17.39 0.03 OUTLIER Glycine 0 CA--C 1.533 1.2 0 N-CA-C 116.406 1.322 . . . . 0.0 116.406 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -150.45 152.03 33.65 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.708 1.254 . . . . 0.0 112.155 -170.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.72 124.38 37.68 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 169.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -113.36 130.88 56.17 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.799 1.24 . . . . 0.0 111.224 171.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.8 t -86.56 118.8 33.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 C-N-CA 125.38 1.472 . . . . 0.0 107.056 171.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.66 108.87 21.19 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.929 1.292 . . . . 0.0 109.165 175.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -85.74 119.82 26.49 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 125.043 1.337 . . . . 0.0 110.268 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.2 mp -86.28 -18.98 30.6 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.801 1.24 . . . . 0.0 112.315 -175.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -73.83 -47.54 37.73 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.382 1.073 . . . . 0.0 112.072 -177.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -98.68 -9.5 24.55 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 125.494 1.517 . . . . 0.0 111.767 178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 56.21 70.15 0.67 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.566 1.946 . . . . 0.0 110.839 -173.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.6 m -143.57 168.71 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 C-N-CA 125.179 1.392 . . . . 0.0 111.529 178.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -126.07 153.06 44.99 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.654 1.581 . . . . 0.0 111.07 171.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -162.47 160.78 26.64 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.927 1.691 . . . . 0.0 112.304 175.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -73.5 147.59 43.92 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.227 -0.921 . . . . 0.0 111.112 171.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 72.3 mtp85 -51.34 -33.58 29.99 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -176.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -85.29 -9.77 57.29 Favored 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 113.944 1.091 . . . . 0.0 113.944 -178.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -102.58 121.82 43.16 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 125.221 1.409 . . . . 0.0 111.122 -174.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 69.8 t60 -93.78 -33.35 13.62 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.727 1.211 . . . . 0.0 113.709 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -96.81 -65.73 0.92 Allowed Glycine 0 N--CA 1.468 0.831 0 C-N-CA 125.197 1.379 . . . . 0.0 113.152 -172.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -68.21 128.45 36.61 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.927 0.891 . . . . 0.0 110.995 -171.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 32.4 ptt-85 -155.67 150.28 26.13 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 125.105 1.362 . . . . 0.0 111.733 -170.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 45.2 ttm105 -117.36 138.84 51.53 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 126.197 1.799 . . . . 0.0 109.735 -176.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.1 mmmt -69.04 139.85 54.91 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 113.999 1.111 . . . . 0.0 113.999 -175.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.4 pt -126.41 168.28 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.287 1.435 . . . . 0.0 110.66 169.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -156.53 165.85 35.11 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 124.906 1.282 . . . . 0.0 113.228 175.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.2 mtp-105 -100.55 151.3 21.75 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.996 1.319 . . . . 0.0 109.104 165.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -151.87 -178.86 7.0 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.521 1.529 . . . . 0.0 111.235 174.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.2 mm -133.31 138.71 50.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 125.714 1.606 . . . . 0.0 109.506 -172.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.671 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.2 mp -86.17 140.43 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.746 0.818 . . . . 0.0 111.111 175.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -99.62 -16.59 18.17 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 114.919 1.452 . . . . 0.0 114.919 -176.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 25.8 mm 75.61 127.51 0.03 OUTLIER Pre-proline 0 N--CA 1.484 1.263 0 C-N-CA 129.279 3.032 . . . . 0.0 112.157 176.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -78.98 167.17 22.38 Favored 'Trans proline' 0 C--N 1.352 0.742 0 C-N-CA 124.013 3.142 . . . . 0.0 112.018 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -59.68 -24.43 63.92 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 175.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 85.0 tttt -58.02 -18.08 21.78 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.798 1.639 . . . . 0.0 113.684 173.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -74.41 -8.83 80.97 Favored Glycine 0 CA--C 1.535 1.307 0 C-N-CA 125.468 1.509 . . . . 0.0 115.157 172.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.7 t -115.16 132.36 64.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 126.228 1.811 . . . . 0.0 109.016 176.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 78.1 p -162.37 163.18 27.99 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.083 1.353 . . . . 0.0 112.305 -176.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -86.44 -174.82 49.55 Favored Glycine 0 CA--C 1.543 1.803 0 C-N-CA 124.745 1.164 . . . . 0.0 114.143 -179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -58.17 156.24 30.73 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 124.638 3.559 . . . . 0.0 113.469 177.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.1 m -65.91 -8.37 21.96 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -176.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 49.6 p -86.48 -7.0 58.77 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.715 1.606 . . . . 0.0 114.073 175.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.179 0 CA-C-O 118.262 -1.299 . . . . 0.0 113.476 179.172 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo . . . . . 0 CA--C 1.539 0.773 0 N-CA-C 113.519 0.546 . . . . 0.0 113.519 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 t -164.28 154.07 14.21 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.222 1.409 . . . . 0.0 111.093 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.3 p -81.11 -12.95 59.14 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.571 1.148 . . . . 0.0 113.209 171.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.64 7.06 88.29 Favored Glycine 0 CA--C 1.534 1.238 0 C-N-CA 125.048 1.308 . . . . 0.0 115.313 174.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -162.36 173.17 14.49 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 119.034 1.417 . . . . 0.0 112.228 -176.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.6 t -165.04 151.2 10.08 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.117 1.767 . . . . 0.0 111.055 -178.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.86 -143.28 30.89 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.31 0.957 . . . . 0.0 112.967 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -130.57 159.14 38.03 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.136 1.775 . . . . 0.0 111.608 -177.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.4 tp -71.34 137.06 48.15 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.781 1.233 . . . . 0.0 111.777 -177.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -152.14 170.56 19.66 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.495 1.918 . . . . 0.0 110.282 177.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -126.77 160.23 59.87 Favored Pre-proline 0 CA--C 1.548 0.902 0 C-N-CA 126.209 1.804 . . . . 0.0 113.388 -171.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -70.83 167.6 25.37 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 123.753 2.969 . . . . 0.0 112.002 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.404 HG21 HD11 ' A' ' 20' ' ' LEU . 14.2 t -176.11 178.85 1.36 Allowed 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.536 1.934 . . . . 0.0 111.01 -167.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.7 mt -107.3 -19.07 13.7 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 127.126 2.171 . . . . 0.0 111.496 177.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.9 mt -79.71 -177.97 6.15 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.827 1.251 . . . . 0.0 113.179 -176.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.8 m -95.19 157.93 35.61 Favored Pre-proline 0 CA--C 1.542 0.673 0 C-N-CA 126.406 1.883 . . . . 0.0 112.267 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -61.5 -23.86 77.3 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 124.111 3.207 . . . . 0.0 113.29 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -86.77 -11.34 51.31 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.511 1.124 . . . . 0.0 113.718 177.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -86.31 -51.41 6.26 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.604 1.162 . . . . 0.0 111.121 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.404 HD11 HG21 ' A' ' 13' ' ' THR . 5.2 mt -62.13 -48.07 81.75 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.871 1.668 . . . . 0.0 110.877 -176.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -65.4 -31.19 72.16 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 176.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.8 -35.21 64.88 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.049 0.841 . . . . 0.0 112.907 174.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.77 -36.5 83.28 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.752 0.821 . . . . 0.0 112.166 172.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -74.3 -52.97 10.69 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.003 0.921 . . . . 0.0 112.022 176.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -66.85 -32.07 73.09 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.912 1.285 . . . . 0.0 113.277 -178.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -69.72 -21.45 76.46 Favored Glycine 0 CA--C 1.532 1.107 0 C-N-CA 125.183 1.373 . . . . 0.0 113.343 177.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 -90.11 -62.73 1.4 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.187 0.995 . . . . 0.0 110.286 168.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.45 3.88 90.54 Favored Glycine 0 N--CA 1.474 1.212 0 C-N-CA 124.306 0.955 . . . . 0.0 113.918 175.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.09 -177.89 4.73 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 125.673 1.589 . . . . 0.0 111.532 170.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -172.69 148.74 1.95 Allowed 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 125.19 1.396 . . . . 0.0 112.471 -175.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.639 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -155.17 151.17 27.88 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.013 1.325 . . . . 0.0 111.695 177.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 49.7 m95 -108.28 147.81 30.91 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.845 1.258 . . . . 0.0 109.697 169.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -136.63 161.33 36.2 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.879 1.272 . . . . 0.0 111.869 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.8 p90 -139.82 149.16 43.15 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.226 1.81 . . . . 0.0 111.021 175.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -77.12 133.6 38.95 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.483 0.658 . . . . 0.0 111.906 177.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -129.55 -168.16 12.27 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 126.369 1.938 . . . . 0.0 112.153 168.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -53.57 -42.67 67.8 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.306 1.442 . . . . 0.0 114.132 -171.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -106.51 -2.85 21.5 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 -172.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 146.15 -160.97 28.27 Favored Glycine 0 N--CA 1.471 1.023 0 C-N-CA 125.826 1.679 . . . . 0.0 113.203 178.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 93.9 m95 -70.51 136.47 49.41 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.044 0.938 . . . . 0.0 111.968 171.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -131.06 143.32 50.6 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.814 1.646 . . . . 0.0 110.481 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -86.07 141.87 29.13 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 123.59 0.756 . . . . 0.0 111.785 -169.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -69.25 154.34 42.21 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.65 0.78 . . . . 0.0 112.646 169.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -75.55 156.57 34.91 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.331 0.652 . . . . 0.0 110.855 170.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.94 -19.77 65.0 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -176.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -67.81 -33.93 75.76 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.812 0.845 . . . . 0.0 111.746 170.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.0 m -95.52 -50.19 5.08 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 126.987 2.115 . . . . 0.0 112.625 -170.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.4 p -63.12 -26.61 68.9 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.334 0.865 . . . . 0.0 113.334 -176.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -29.15 70.51 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 118.648 -0.691 . . . . 0.0 112.361 172.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -69.29 -39.17 78.49 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 119.429 1.013 . . . . 0.0 110.023 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.6 mt -69.9 -42.76 72.94 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.923 1.689 . . . . 0.0 111.0 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -64.45 -36.05 82.92 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.21 1.004 . . . . 0.0 112.908 172.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -74.27 -37.46 63.7 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 120.61 -1.306 . . . . 0.0 110.693 -177.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.34 -50.2 72.57 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.514 1.526 . . . . 0.0 114.431 -176.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -66.97 -24.47 66.06 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 118.895 0.77 . . . . 0.0 111.267 176.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.4 t -78.46 -32.83 48.6 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.673 1.189 . . . . 0.0 112.587 176.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -72.42 -41.99 65.59 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.983 1.313 . . . . 0.0 111.614 174.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.7 -7.1 8.96 Favored Glycine 0 C--N 1.34 0.8 0 C-N-CA 125.087 1.327 . . . . 0.0 113.968 179.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -65.67 150.36 48.61 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.116 1.458 . . . . 0.0 112.381 173.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -96.02 -3.94 44.01 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.246 1.419 . . . . 0.0 113.214 -176.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -166.89 141.28 3.96 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 126.502 1.921 . . . . 0.0 109.783 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 t -130.93 179.56 5.91 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.436 1.095 . . . . 0.0 112.356 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -127.87 146.69 50.54 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.77 1.628 . . . . 0.0 111.621 -170.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -154.87 147.61 24.38 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.842 1.257 . . . . 0.0 112.377 -173.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.8 144.01 31.69 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.917 1.687 . . . . 0.0 110.308 179.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.92 -150.72 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.171 1.389 . . . . 0.0 112.031 -178.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.96 -17.33 23.67 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.232 1.567 . . . . 0.0 115.232 179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.78 13.45 0.03 OUTLIER Glycine 0 CA--C 1.534 1.254 0 N-CA-C 116.576 1.39 . . . . 0.0 116.576 178.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -147.46 157.47 43.59 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.999 1.4 . . . . 0.0 112.09 -169.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.29 124.62 43.01 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.769 1.227 . . . . 0.0 107.975 173.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.6 m-85 -110.43 130.57 55.53 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 124.481 1.112 . . . . 0.0 111.631 170.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.2 t -88.09 115.9 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 C-N-CA 125.532 1.533 . . . . 0.0 106.87 169.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -97.57 113.15 24.81 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.219 1.408 . . . . 0.0 109.518 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -89.08 119.6 29.73 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 125.309 1.444 . . . . 0.0 110.6 178.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.6 mp -85.32 -9.38 57.72 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.727 1.611 . . . . 0.0 112.867 -173.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -93.86 -47.79 6.58 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.426 1.09 . . . . 0.0 111.666 -178.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -88.22 -12.42 43.83 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.741 1.616 . . . . 0.0 112.093 178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.0 mmt 55.53 59.42 3.9 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.506 1.922 . . . . 0.0 111.617 -174.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.8 m -139.54 163.37 25.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 124.548 1.139 . . . . 0.0 111.55 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -124.3 147.8 47.88 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.369 1.468 . . . . 0.0 111.13 171.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.2 p90 -157.04 161.54 39.52 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.737 1.615 . . . . 0.0 112.108 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 75.3 mtt180 -77.38 149.68 35.17 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.895 0.878 . . . . 0.0 110.502 175.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 69.3 mtp85 -53.01 -30.7 36.88 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 115.769 1.766 . . . . 0.0 115.769 -171.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -92.81 -4.21 53.4 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -103.83 154.16 19.92 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.938 1.695 . . . . 0.0 112.058 -173.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 56.6 t60 -135.98 -32.94 0.86 Allowed 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 125.773 1.629 . . . . 0.0 113.514 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.8 -57.21 1.64 Allowed Glycine 0 N--CA 1.47 0.938 0 C-N-CA 124.922 1.248 . . . . 0.0 112.322 -175.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -67.83 111.89 4.57 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.23 1.012 . . . . 0.0 109.712 174.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -151.46 143.31 23.79 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.73 1.612 . . . . 0.0 110.893 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 60.2 mtp180 -112.67 136.78 51.85 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.322 1.449 . . . . 0.0 109.568 -176.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.2 mmmm -63.09 145.79 54.69 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 124.108 0.963 . . . . 0.0 113.201 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 34.3 pt -124.53 169.29 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.52 1.528 . . . . 0.0 110.01 168.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.7 pttt -155.24 167.79 29.2 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.864 1.266 . . . . 0.0 112.413 174.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -113.34 145.31 41.3 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.992 1.717 . . . . 0.0 109.766 169.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.79 178.5 9.58 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.006 1.323 . . . . 0.0 112.327 -177.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.6 mm -129.76 138.64 53.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 126.082 1.753 . . . . 0.0 109.86 -176.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.639 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.3 mp -88.61 140.76 15.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 C-N-CA 123.763 0.825 . . . . 0.0 110.823 173.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -103.32 -16.0 15.78 Favored 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 115.044 1.498 . . . . 0.0 115.044 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.9 mm 74.3 128.63 0.03 OUTLIER Pre-proline 0 N--CA 1.487 1.398 0 C-N-CA 128.847 2.859 . . . . 0.0 112.904 171.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_endo -80.16 167.09 20.1 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 124.182 3.255 . . . . 0.0 111.743 178.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -60.39 -28.32 68.13 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 174.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -59.41 -19.22 45.48 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.597 1.559 . . . . 0.0 113.66 173.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -82.31 -8.86 85.78 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.477 1.513 . . . . 0.0 115.259 175.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.8 t -81.25 115.23 23.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 CA-C-N 118.557 1.178 . . . . 0.0 109.211 177.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 64.3 m -155.08 157.3 37.31 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.741 1.616 . . . . 0.0 111.503 -173.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -77.28 165.24 53.04 Favored Glycine 0 CA--C 1.541 1.679 0 C-N-CA 124.08 0.848 . . . . 0.0 113.266 175.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -74.77 155.92 44.06 Favored 'Trans proline' 0 C--N 1.349 0.598 0 C-N-CA 123.934 3.09 . . . . 0.0 111.917 -178.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 51.5 p -75.99 -3.55 36.32 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.559 1.144 . . . . 0.0 114.068 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 55.4 p -85.05 -6.29 59.32 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.614 1.565 . . . . 0.0 114.123 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.148 0 CA-C-O 118.185 -1.342 . . . . 0.0 113.315 178.65 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo . . . . . 0 CA--C 1.539 0.743 0 N-CA-C 113.432 0.512 . . . . 0.0 113.432 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 m -160.88 149.09 16.03 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.128 1.771 . . . . 0.0 110.62 178.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.5 p -165.93 166.88 17.15 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.28 1.432 . . . . 0.0 111.83 -175.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 84.37 -159.2 35.02 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 124.489 1.042 . . . . 0.0 113.433 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.3 m -66.75 147.69 52.91 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.728 1.211 . . . . 0.0 113.536 -176.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.4 p -80.67 -16.98 52.61 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 114.127 1.158 . . . . 0.0 114.127 177.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.04 168.39 40.95 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 125.163 1.364 . . . . 0.0 113.589 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -70.87 155.39 40.86 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.55 1.14 . . . . 0.0 112.161 177.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.4 tp -67.18 132.8 48.53 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.615 1.166 . . . . 0.0 112.05 -176.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 40.6 m-20 -92.47 139.72 30.3 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.96 1.304 . . . . 0.0 110.642 169.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -135.93 158.05 74.7 Favored Pre-proline 0 CA--C 1.549 0.921 0 C-N-CA 125.758 1.623 . . . . 0.0 112.493 -175.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -73.97 173.08 14.65 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 124.013 3.142 . . . . 0.0 112.599 -175.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.1 t -165.04 166.76 18.99 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.494 1.917 . . . . 0.0 111.368 -173.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp -105.72 -3.83 21.65 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.099 1.76 . . . . 0.0 111.767 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.4 mt -92.32 -174.0 3.58 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.159 1.384 . . . . 0.0 112.487 -177.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 m -103.93 158.87 30.99 Favored Pre-proline 0 CA--C 1.54 0.596 0 C-N-CA 126.837 2.055 . . . . 0.0 111.94 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -60.87 -25.23 80.94 Favored 'Trans proline' 0 CA--C 1.534 0.506 0 C-N-CA 123.983 3.122 . . . . 0.0 113.022 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -85.5 -11.05 55.17 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 176.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -86.95 -51.67 5.9 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.742 1.217 . . . . 0.0 110.997 174.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.9 mt -61.91 -47.83 83.18 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 125.859 1.663 . . . . 0.0 110.886 -176.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -62.77 -36.76 84.12 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 173.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.73 -30.84 67.49 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.34 -30.93 70.82 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 173.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.0 t -89.07 -51.35 5.64 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.655 0.782 . . . . 0.0 111.672 177.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -63.52 -30.17 71.33 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.04 1.336 . . . . 0.0 113.382 -178.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.61 -16.21 73.85 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.341 1.448 . . . . 0.0 113.939 176.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -100.25 -66.67 0.89 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.448 1.099 . . . . 0.0 110.796 169.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 77.66 7.35 87.25 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.03 0.824 . . . . 0.0 113.924 175.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -78.03 -176.76 4.69 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.153 1.781 . . . . 0.0 111.352 172.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -171.65 151.17 2.86 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.476 1.511 . . . . 0.0 111.899 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.741 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -151.13 147.36 26.96 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.504 1.522 . . . . 0.0 110.167 176.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 37.8 m95 -107.83 147.55 30.74 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.441 1.096 . . . . 0.0 110.429 174.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -138.81 154.83 48.5 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.833 1.253 . . . . 0.0 111.588 -178.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 36.8 p90 -135.46 148.84 49.4 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.075 1.35 . . . . 0.0 111.165 172.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -78.09 103.16 7.85 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 118.136 0.425 . . . . 0.0 110.075 173.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.48 -136.81 9.51 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 125.316 1.436 . . . . 0.0 112.846 -179.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 46.5 ptt85 -58.53 -31.51 67.99 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 116.116 1.895 . . . . 0.0 116.116 -172.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -144.74 -10.73 0.6 Allowed 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 -173.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 166.53 -161.49 35.21 Favored Glycine 0 N--CA 1.471 0.98 0 C-N-CA 124.969 1.271 . . . . 0.0 112.596 -176.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -67.56 124.95 24.67 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 124.107 0.963 . . . . 0.0 112.049 176.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -124.73 137.36 54.34 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 125.212 1.405 . . . . 0.0 110.101 174.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -79.94 137.47 36.88 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.671 0.788 . . . . 0.0 111.011 -172.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 55.5 m-85 -68.81 158.34 34.61 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.0 0.92 . . . . 0.0 112.796 170.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -74.15 161.24 30.18 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.46 0.704 . . . . 0.0 111.279 174.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -70.17 -19.52 63.19 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.135 0.974 . . . . 0.0 113.277 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -70.23 -37.66 75.04 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.846 0.858 . . . . 0.0 111.685 171.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 50.4 m -93.9 -50.11 5.49 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.289 1.835 . . . . 0.0 112.715 -169.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.1 p -61.81 -29.57 70.24 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -175.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -28.89 70.36 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 118.847 -0.597 . . . . 0.0 112.271 173.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -71.16 -38.43 72.19 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.342 0.974 . . . . 0.0 110.144 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.7 mt -68.66 -43.59 75.87 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.823 1.649 . . . . 0.0 110.812 178.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.5 tp10 -65.19 -33.51 76.17 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.199 1.4 . . . . 0.0 113.09 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -81.05 -34.07 33.05 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 121.123 -0.986 . . . . 0.0 111.469 -177.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.13 -50.09 74.7 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.103 1.361 . . . . 0.0 114.008 -176.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.8 p90 -68.69 -22.47 64.36 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 118.946 0.794 . . . . 0.0 112.476 175.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 t -78.95 -28.74 43.72 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.534 1.133 . . . . 0.0 112.428 175.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -77.33 -42.17 37.71 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.02 1.328 . . . . 0.0 111.961 174.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.73 -7.63 8.3 Favored Glycine 0 N--CA 1.469 0.895 0 C-N-CA 125.062 1.315 . . . . 0.0 114.129 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -66.0 150.85 48.02 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 118.95 1.375 . . . . 0.0 112.27 171.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -98.47 0.22 44.73 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.931 1.292 . . . . 0.0 113.556 -178.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -170.51 152.29 3.89 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 126.721 2.008 . . . . 0.0 109.774 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 t -143.75 172.45 12.81 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.368 1.467 . . . . 0.0 111.153 -175.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -121.96 145.49 48.07 Favored 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.068 1.347 . . . . 0.0 111.519 -172.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.5 ptt? -151.18 147.96 27.66 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.04 1.336 . . . . 0.0 111.903 -173.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.05 141.35 36.36 Favored 'General case' 0 C--O 1.233 0.208 0 C-N-CA 125.716 1.607 . . . . 0.0 109.825 177.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -119.2 -152.26 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.691 1.196 . . . . 0.0 111.779 -179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.76 -15.78 22.76 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 115.594 1.702 . . . . 0.0 115.594 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.73 14.82 0.03 OUTLIER Glycine 0 CA--C 1.533 1.195 0 N-CA-C 116.747 1.459 . . . . 0.0 116.747 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -149.53 152.38 35.47 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.869 1.334 . . . . 0.0 112.179 -169.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.49 125.42 36.22 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.55 1.14 . . . . 0.0 108.335 169.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -117.52 138.19 52.06 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.476 1.111 . . . . 0.0 111.603 170.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.6 t -92.97 122.48 44.5 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 C-N-CA 126.03 1.732 . . . . 0.0 107.174 173.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -100.86 119.06 38.13 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.163 1.385 . . . . 0.0 109.692 175.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -103.17 117.44 34.53 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 126.333 1.853 . . . . 0.0 111.139 -173.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 20.5 mt -77.24 -20.99 54.46 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.46 1.504 . . . . 0.0 113.05 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -67.1 -51.08 58.66 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.969 0.804 . . . . 0.0 112.391 -178.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -102.01 -8.81 21.16 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.979 1.712 . . . . 0.0 111.972 -176.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 56.32 63.33 2.02 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.847 2.059 . . . . 0.0 111.472 -171.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 26.7 m -139.42 171.59 14.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 C-N-CA 124.604 1.162 . . . . 0.0 111.317 178.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.461 ' NE2' HN61 ' A' ' 201' ' ' ATP . 2.0 pp0? -144.28 141.7 29.98 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.092 0.957 . . . . 0.0 111.694 174.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -157.26 167.18 31.07 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.945 1.698 . . . . 0.0 113.983 -169.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -72.03 143.97 48.95 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 121.234 -0.916 . . . . 0.0 111.679 170.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 72.5 mtp85 -47.37 -38.2 12.63 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.175 1.39 . . . . 0.0 114.63 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -99.15 -8.44 25.14 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -178.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -122.48 78.59 1.53 Allowed 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 122.422 1.106 . . . . 0.0 111.644 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -66.18 -15.45 63.15 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 115.25 -0.887 . . . . 0.0 112.663 172.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -87.5 -5.78 78.39 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 125.756 1.646 . . . . 0.0 114.365 174.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -117.8 87.98 2.82 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.865 1.332 . . . . 0.0 109.701 176.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.2 ptt180 -132.72 149.81 52.24 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 113.911 -1.495 . . . . 0.0 113.271 -169.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -125.13 140.44 52.88 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 126.665 1.986 . . . . 0.0 109.808 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.2 mmmt -62.4 142.81 57.66 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.256 1.022 . . . . 0.0 112.477 175.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.1 pt -125.77 167.21 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 124.858 1.263 . . . . 0.0 111.083 170.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 43.9 pttt -155.52 167.35 30.67 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.377 1.471 . . . . 0.0 113.228 175.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.2 mtp-105 -105.95 152.07 23.78 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.479 1.512 . . . . 0.0 109.63 166.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -150.84 177.53 10.02 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.611 1.564 . . . . 0.0 111.138 172.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.8 mm -128.7 137.6 56.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 125.125 1.37 . . . . 0.0 110.046 -174.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.741 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.4 mp -88.49 141.45 14.28 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.066 0.946 . . . . 0.0 111.001 174.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -103.38 -17.17 15.38 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 -178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.4 mm 73.22 128.43 0.03 OUTLIER Pre-proline 0 N--CA 1.487 1.424 0 C-N-CA 128.557 2.743 . . . . 0.0 112.95 172.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_endo -79.77 168.02 19.83 Favored 'Trans proline' 0 C--N 1.351 0.689 0 C-N-CA 124.007 3.138 . . . . 0.0 111.538 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -60.01 -33.18 71.64 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.71 0.633 . . . . 0.0 112.71 175.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -63.18 -18.86 63.95 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.363 1.465 . . . . 0.0 113.516 173.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.97 -8.51 79.01 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 126.037 1.78 . . . . 0.0 115.085 177.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.7 t -73.38 116.91 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 CA-C-N 118.484 1.142 . . . . 0.0 109.133 176.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 50.3 m 71.77 136.74 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 127.915 2.486 . . . . 0.0 113.262 -171.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 169.09 -169.07 41.67 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 124.588 1.09 . . . . 0.0 113.962 -178.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -57.37 147.46 77.37 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 124.592 3.528 . . . . 0.0 113.191 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.7 t -164.23 171.89 14.35 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 125.318 1.447 . . . . 0.0 111.284 -178.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.0 t -163.42 160.26 23.22 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.788 1.635 . . . . 0.0 111.421 -177.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.238 0 C-N-CA 125.319 1.438 . . . . 0.0 112.854 -178.118 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ATP . . . . . 0.461 HN61 ' NE2' ' A' ' 80' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo . . . . . 0 CA--C 1.541 0.858 0 N-CA-C 113.848 0.672 . . . . 0.0 113.848 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.8 p -165.54 171.09 13.6 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.085 1.354 . . . . 0.0 111.636 -174.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.5 m -140.34 144.17 36.16 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 125.328 1.451 . . . . 0.0 110.69 178.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.56 50.69 3.86 Favored Glycine 0 N--CA 1.474 1.188 0 C-N-CA 125.235 1.398 . . . . 0.0 114.203 -172.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.9 m 64.25 18.03 11.06 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.379 1.872 . . . . 0.0 113.781 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.5 p -81.12 -12.2 59.3 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 125.426 1.49 . . . . 0.0 114.525 -175.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.33 144.19 17.77 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 125.056 1.313 . . . . 0.0 112.433 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 49.0 p90 -82.08 174.03 11.6 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.6 1.16 . . . . 0.0 112.427 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.8 tp -148.47 141.49 24.86 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.256 1.423 . . . . 0.0 110.56 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -66.17 151.14 47.59 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.018 1.327 . . . . 0.0 113.041 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.3 mttp -131.83 157.42 78.23 Favored Pre-proline 0 CA--C 1.55 0.962 0 C-N-CA 125.799 1.64 . . . . 0.0 112.598 -175.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -75.08 175.69 10.92 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 124.282 3.322 . . . . 0.0 113.02 -174.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.6 t -157.54 163.79 38.01 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 126.765 2.026 . . . . 0.0 110.918 -177.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp -99.03 -4.74 31.79 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.689 1.596 . . . . 0.0 111.681 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.2 mt -93.74 -174.68 3.52 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.137 1.375 . . . . 0.0 112.587 -176.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.7 m -104.47 159.14 30.31 Favored Pre-proline 0 CA--C 1.542 0.647 0 C-N-CA 127.106 2.162 . . . . 0.0 111.793 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -61.08 -24.95 80.44 Favored 'Trans proline' 0 CA--C 1.535 0.532 0 C-N-CA 124.014 3.143 . . . . 0.0 113.123 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -86.05 -11.68 52.18 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.561 1.144 . . . . 0.0 113.999 176.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -85.41 -51.49 6.51 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.461 1.104 . . . . 0.0 111.148 176.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.62 -47.41 85.54 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.768 1.627 . . . . 0.0 110.514 -176.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -61.84 -38.13 87.06 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.36 0.664 . . . . 0.0 112.476 173.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.15 -37.36 72.23 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.064 0.847 . . . . 0.0 112.807 178.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.12 -35.75 77.87 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.21 1.004 . . . . 0.0 112.391 175.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.1 t -79.92 -49.23 12.2 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.786 0.834 . . . . 0.0 112.365 177.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -68.41 -32.76 73.04 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.616 1.166 . . . . 0.0 113.299 -176.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.6 -12.37 81.79 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 125.324 1.44 . . . . 0.0 115.01 -177.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -80.53 -85.1 0.09 Allowed 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 124.529 1.132 . . . . 0.0 111.317 -179.129 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.41 -1.57 57.28 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 124.691 1.139 . . . . 0.0 115.267 170.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.35 177.8 8.18 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.605 1.203 . . . . 0.0 111.526 169.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.1 p90 -171.15 149.38 2.84 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.213 1.405 . . . . 0.0 114.037 -178.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.693 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -153.12 155.67 37.2 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.843 1.657 . . . . 0.0 110.686 177.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 36.7 m95 -113.54 149.72 34.0 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 124.29 1.036 . . . . 0.0 110.685 169.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -137.18 160.18 39.74 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.061 1.344 . . . . 0.0 111.804 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -133.57 148.31 51.6 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.928 1.691 . . . . 0.0 111.151 173.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -79.93 112.21 17.0 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.862 -0.524 . . . . 0.0 110.145 175.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -98.21 -161.15 30.47 Favored Glycine 0 CA--C 1.532 1.117 0 C-N-CA 124.803 1.192 . . . . 0.0 112.021 169.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 67.0 ttt-85 -60.52 -43.76 96.77 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.412 1.085 . . . . 0.0 113.098 -178.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -105.73 -6.26 19.26 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 114.454 1.279 . . . . 0.0 114.454 -169.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 149.1 -161.89 28.83 Favored Glycine 0 N--CA 1.472 1.078 0 C-N-CA 125.665 1.602 . . . . 0.0 113.023 178.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -68.17 133.2 48.51 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.906 0.882 . . . . 0.0 112.344 172.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.7 m95 -130.25 139.7 50.75 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.47 1.508 . . . . 0.0 110.391 176.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -83.57 139.67 32.71 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.616 0.766 . . . . 0.0 111.742 -169.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -71.19 154.43 41.69 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.943 0.897 . . . . 0.0 112.281 169.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -64.99 157.25 28.79 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.298 1.039 . . . . 0.0 112.238 174.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -65.47 -18.9 65.67 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.169 0.987 . . . . 0.0 112.77 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.6 mmt85 -90.39 -15.23 31.41 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.773 1.229 . . . . 0.0 112.519 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 77.0 m -105.59 -50.26 3.24 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.787 1.635 . . . . 0.0 111.333 -177.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.7 p -59.41 -29.12 67.51 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -29.29 70.48 Favored 'General case' 0 C--N 1.342 0.251 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 174.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.82 -39.33 69.87 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 119.023 0.829 . . . . 0.0 109.871 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.7 mt -68.51 -45.17 73.02 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.646 1.579 . . . . 0.0 110.677 178.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.2 tp10 -63.88 -31.72 72.99 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.168 1.387 . . . . 0.0 112.679 176.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -80.64 -38.65 28.8 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 124.221 1.008 . . . . 0.0 110.932 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.23 -50.08 75.06 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.958 1.303 . . . . 0.0 114.14 -176.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -68.63 -19.55 64.43 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 118.839 0.745 . . . . 0.0 111.957 176.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 t -83.29 -31.11 27.07 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.809 1.244 . . . . 0.0 112.605 175.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -73.31 -41.82 63.08 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.126 1.37 . . . . 0.0 111.806 175.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.69 -7.46 8.34 Favored Glycine 0 C--N 1.34 0.781 0 C-N-CA 125.044 1.307 . . . . 0.0 114.158 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -65.85 151.13 47.38 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.077 1.438 . . . . 0.0 112.346 172.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -99.16 0.35 43.24 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.264 1.426 . . . . 0.0 113.19 -175.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -171.39 147.09 2.38 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 126.904 2.082 . . . . 0.0 109.551 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.0 t -137.08 174.48 10.57 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.086 0.955 . . . . 0.0 112.441 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.5 mt-10 -121.16 145.04 48.23 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 126.07 1.748 . . . . 0.0 111.44 -171.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.4 ptt? -153.83 149.27 27.21 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.908 1.283 . . . . 0.0 112.576 -172.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.31 143.42 33.0 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.955 1.702 . . . . 0.0 110.294 -179.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.93 -152.66 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 125.088 1.355 . . . . 0.0 112.003 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.26 -16.09 19.38 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 178.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.55 15.35 0.03 OUTLIER Glycine 0 CA--C 1.533 1.196 0 N-CA-C 116.74 1.456 . . . . 0.0 116.74 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -149.74 153.11 36.38 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 118.801 1.301 . . . . 0.0 112.069 -169.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.54 124.26 38.46 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.428 1.091 . . . . 0.0 108.122 169.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -113.45 134.62 54.56 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.777 1.231 . . . . 0.0 111.463 172.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.6 t -86.19 118.39 32.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 169.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -89.25 111.45 22.26 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.222 1.009 . . . . 0.0 108.784 170.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -85.88 110.85 19.7 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 125.216 1.406 . . . . 0.0 110.083 176.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.4 mp -83.23 -11.35 57.9 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.076 1.351 . . . . 0.0 112.145 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -70.45 -54.93 10.34 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 119.126 0.876 . . . . 0.0 111.973 174.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -101.58 -6.08 24.31 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.623 1.569 . . . . 0.0 112.325 -172.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.7 mmt 58.29 61.55 2.26 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.545 1.938 . . . . 0.0 111.24 -173.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.9 m -137.62 172.91 13.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 124.326 1.051 . . . . 0.0 110.925 174.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.0 142.85 27.94 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.155 0.982 . . . . 0.0 111.72 176.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -155.36 162.75 40.75 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.336 1.454 . . . . 0.0 113.88 -172.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 60.0 ttt-85 -68.98 141.73 54.84 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.6 1.16 . . . . 0.0 111.249 171.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.6 mtp-105 -54.87 -31.27 59.51 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 114.36 1.245 . . . . 0.0 114.36 -172.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -81.55 -17.17 49.36 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 -172.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -156.67 124.55 5.53 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 122.607 1.194 . . . . 0.0 112.871 177.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -76.95 -15.93 59.51 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 124.531 1.132 . . . . 0.0 114.038 -178.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.55 -22.44 77.28 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 125.343 1.449 . . . . 0.0 113.6 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.6 mmm-85 -88.74 61.31 5.95 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.075 1.35 . . . . 0.0 110.206 175.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 23.0 ptt-85 -111.83 152.47 27.88 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.125 1.37 . . . . 0.0 114.26 -172.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -132.29 143.47 49.91 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 127.271 2.228 . . . . 0.0 109.796 175.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.69 148.55 46.16 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.003 1.321 . . . . 0.0 113.396 176.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 31.6 pt -131.23 169.92 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.189 1.396 . . . . 0.0 111.337 170.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 50.2 pttt -158.17 166.16 33.13 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.983 1.313 . . . . 0.0 113.198 174.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.3 mtp-105 -100.8 149.13 24.15 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.185 1.394 . . . . 0.0 108.922 165.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -151.84 -179.89 7.85 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.329 1.451 . . . . 0.0 111.459 174.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.4 mm -132.88 137.17 54.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 C-N-CA 125.644 1.578 . . . . 0.0 109.735 -171.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.693 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.2 mp -87.56 139.86 16.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.064 0.946 . . . . 0.0 110.891 176.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -103.62 -15.46 15.79 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 114.883 1.438 . . . . 0.0 114.883 -178.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 24.6 mm 75.4 127.73 0.03 OUTLIER Pre-proline 0 N--CA 1.485 1.307 0 C-N-CA 129.278 3.031 . . . . 0.0 111.866 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -76.4 161.17 34.92 Favored 'Trans proline' 0 C--N 1.352 0.752 0 C-N-CA 123.637 2.891 . . . . 0.0 112.451 -177.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -63.16 -20.3 65.27 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -178.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -88.2 -25.9 22.66 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.172 1.389 . . . . 0.0 112.682 172.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -87.08 -36.5 8.96 Favored Glycine 0 CA--C 1.531 1.093 0 C-N-CA 125.313 1.435 . . . . 0.0 113.497 -178.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.1 p -68.86 137.43 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.863 0.865 . . . . 0.0 110.866 175.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.3 t -164.63 164.82 21.41 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.304 1.442 . . . . 0.0 111.283 -177.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -79.37 160.22 45.58 Favored Glycine 0 CA--C 1.543 1.799 0 C-N-CA 124.549 1.071 . . . . 0.0 113.556 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -75.03 159.28 41.42 Favored 'Trans proline' 0 CA--C 1.536 0.6 0 C-N-CA 124.006 3.137 . . . . 0.0 111.752 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 15.1 m -75.54 -4.45 39.91 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 79.5 p -165.06 163.33 20.61 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 126.21 1.804 . . . . 0.0 111.858 -175.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.195 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.969 -179.187 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo . . . . . 0 CA--C 1.537 0.629 0 N-CA-C 113.395 0.498 . . . . 0.0 113.395 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 m -78.67 26.16 0.24 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 125.487 1.515 . . . . 0.0 114.827 -169.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.8 m 64.29 6.37 2.98 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 126.484 1.914 . . . . 0.0 114.458 173.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.18 20.2 68.92 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 124.198 0.904 . . . . 0.0 112.899 -169.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 t -153.33 -33.1 0.12 Allowed 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 -169.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -80.45 -14.29 58.41 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 120.684 -1.26 . . . . 0.0 112.005 169.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.24 161.97 35.78 Favored Glycine 0 CA--C 1.532 1.102 0 C-N-CA 126.773 2.13 . . . . 0.0 111.883 175.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -77.97 161.86 27.21 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.172 0.989 . . . . 0.0 112.799 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 63.6 tp -155.02 135.75 13.57 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.842 1.657 . . . . 0.0 109.952 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -145.44 146.75 31.63 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.104 1.761 . . . . 0.0 110.335 -178.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -134.5 157.34 77.58 Favored Pre-proline 0 CA--C 1.549 0.935 0 C-N-CA 125.856 1.662 . . . . 0.0 112.384 -172.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -73.54 169.4 22.4 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 124.093 3.195 . . . . 0.0 113.108 -170.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.462 HG21 HD11 ' A' ' 20' ' ' LEU . 14.2 t -175.23 -176.65 0.95 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 127.988 2.515 . . . . 0.0 110.003 -169.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mt -105.41 -14.43 15.33 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 127.36 2.264 . . . . 0.0 110.657 171.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.2 mt -88.11 -165.73 1.4 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.924 1.69 . . . . 0.0 112.844 -179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.3 m -114.41 158.35 40.17 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 127.559 2.343 . . . . 0.0 111.369 -177.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -61.24 -24.95 79.88 Favored 'Trans proline' 0 CA--C 1.535 0.57 0 C-N-CA 124.092 3.195 . . . . 0.0 113.216 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -86.82 -11.73 50.05 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.488 1.115 . . . . 0.0 113.96 176.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -85.8 -51.28 6.52 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.394 1.078 . . . . 0.0 111.274 177.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.462 HD11 HG21 ' A' ' 13' ' ' THR . 6.2 mt -58.86 -49.67 76.87 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.864 1.665 . . . . 0.0 110.577 -177.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -64.43 -34.06 77.31 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.65 0.78 . . . . 0.0 112.022 177.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.35 -43.35 64.17 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.891 0.769 . . . . 0.0 112.222 176.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.25 -43.6 98.61 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.471 1.108 . . . . 0.0 111.906 175.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.8 t -67.72 -50.05 59.43 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.671 0.788 . . . . 0.0 112.402 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 47.6 tpt85 -68.71 -27.11 65.65 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 -178.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.79 -34.33 88.31 Favored Glycine 0 CA--C 1.533 1.156 0 C-N-CA 124.898 1.237 . . . . 0.0 114.295 -173.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -120.31 -40.11 2.72 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 171.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.31 8.99 85.6 Favored Glycine 0 N--CA 1.477 1.4 0 CA-C-N 118.924 0.783 . . . . 0.0 113.628 -176.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.51 -178.47 3.56 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.75 1.62 . . . . 0.0 111.496 170.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.4 p90 -170.8 150.77 3.28 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 125.384 1.474 . . . . 0.0 112.349 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.662 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -152.99 156.73 39.39 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.268 1.427 . . . . 0.0 111.216 176.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 34.0 m95 -113.59 147.32 38.25 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 124.917 1.287 . . . . 0.0 110.51 172.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 70.7 m-85 -138.2 158.28 44.61 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.976 1.31 . . . . 0.0 112.064 -178.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -140.47 152.87 45.97 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.782 1.633 . . . . 0.0 111.06 175.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -78.87 118.96 21.39 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.639 -0.663 . . . . 0.0 111.748 178.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -106.42 -151.91 19.16 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.767 1.651 . . . . 0.0 112.604 170.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -66.47 -39.07 88.59 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.425 1.09 . . . . 0.0 113.821 -171.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -116.05 -6.67 11.95 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 -171.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 155.17 -159.91 29.42 Favored Glycine 0 N--CA 1.472 1.034 0 C-N-CA 125.357 1.456 . . . . 0.0 113.214 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 92.8 m95 -71.06 132.04 44.53 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.17 0.988 . . . . 0.0 111.952 173.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 71.2 m95 -130.61 144.21 51.27 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.213 1.405 . . . . 0.0 110.957 177.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -81.74 142.0 33.04 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.846 0.858 . . . . 0.0 112.3 -169.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -69.28 159.92 32.18 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.1 0.96 . . . . 0.0 113.028 169.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -67.6 149.54 49.96 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.963 0.905 . . . . 0.0 111.736 171.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -67.27 -19.45 65.5 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.759 1.224 . . . . 0.0 113.488 -173.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -93.32 -12.42 30.07 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 124.019 0.928 . . . . 0.0 111.822 175.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.9 m -96.42 -52.71 3.86 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.297 1.439 . . . . 0.0 111.371 175.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.9 p -58.01 -31.99 67.5 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.108 0.963 . . . . 0.0 113.306 -178.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -25.93 68.39 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.723 0.809 . . . . 0.0 112.728 176.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -76.13 -35.24 59.35 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.571 0.623 . . . . 0.0 110.377 178.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.8 mt -71.72 -43.13 66.41 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 125.797 1.639 . . . . 0.0 110.407 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -62.58 -31.23 72.01 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 125.665 1.586 . . . . 0.0 113.019 173.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -82.32 -26.47 32.99 Favored 'General case' 0 N--CA 1.467 0.42 0 O-C-N 121.11 -0.994 . . . . 0.0 111.648 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.29 -48.0 77.33 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 -174.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -69.28 -21.43 63.88 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.709 -0.62 . . . . 0.0 112.323 174.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.3 t -80.06 -27.14 39.4 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.962 1.305 . . . . 0.0 112.556 174.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.8 mtpp -78.32 -36.27 46.59 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.986 1.314 . . . . 0.0 112.235 172.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 118.23 -7.34 14.49 Favored Glycine 0 C--N 1.342 0.9 0 C-N-CA 125.313 1.435 . . . . 0.0 113.838 178.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.73 155.38 38.25 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 118.973 1.387 . . . . 0.0 112.78 172.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.9 pttt -99.26 -2.53 36.34 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 125.014 1.326 . . . . 0.0 113.862 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -167.4 151.22 6.5 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 126.024 1.73 . . . . 0.0 110.877 178.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 5.3 t -144.24 177.22 8.76 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 126.121 1.768 . . . . 0.0 110.791 -173.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -127.11 146.35 50.41 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 125.654 1.581 . . . . 0.0 111.923 -170.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.0 ptt? -152.83 149.87 28.75 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.286 1.435 . . . . 0.0 112.205 -176.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.96 144.21 31.83 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.9 1.68 . . . . 0.0 110.134 178.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.99 -151.99 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 124.967 1.307 . . . . 0.0 111.887 -179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.65 -16.22 24.76 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 178.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.92 14.93 0.03 OUTLIER Glycine 0 CA--C 1.533 1.19 0 N-CA-C 116.727 1.451 . . . . 0.0 116.727 179.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -148.75 154.04 39.02 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.938 1.369 . . . . 0.0 111.989 -170.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.38 124.29 36.32 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.477 1.111 . . . . 0.0 108.301 169.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -112.05 129.87 56.06 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.566 1.146 . . . . 0.0 111.447 170.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 46.4 t -84.66 121.0 36.24 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 C-N-CA 125.854 1.662 . . . . 0.0 106.852 168.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -99.74 119.16 37.69 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.91 1.284 . . . . 0.0 109.597 175.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -101.75 119.77 39.31 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.726 1.61 . . . . 0.0 111.145 -174.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 22.3 mt -77.73 -21.33 52.03 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.055 1.342 . . . . 0.0 113.032 178.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -66.33 -56.71 9.8 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 118.987 0.812 . . . . 0.0 111.451 -178.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 15.2 m-80 -100.87 -10.26 20.85 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.92 1.688 . . . . 0.0 112.147 -173.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 57.39 67.65 0.95 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.38 1.872 . . . . 0.0 111.093 -174.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.1 m -140.14 166.3 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 C-N-CA 125.746 1.619 . . . . 0.0 111.107 174.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -120.76 149.31 42.74 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.837 1.655 . . . . 0.0 110.251 170.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -163.03 162.24 25.82 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 125.453 1.501 . . . . 0.0 113.164 176.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.5 mtm-85 -73.3 149.51 42.62 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 121.032 -1.043 . . . . 0.0 112.076 174.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -56.46 -26.46 53.99 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 175.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -89.57 -11.42 42.79 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -177.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -157.6 123.41 4.67 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.572 1.078 . . . . 0.0 112.835 -174.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 57.3 p-80 -90.7 -17.16 27.25 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.99 1.316 . . . . 0.0 113.27 174.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.59 -18.4 78.54 Favored Glycine 0 N--CA 1.473 1.136 0 C-N-CA 125.709 1.624 . . . . 0.0 113.756 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -109.49 97.93 7.41 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 125.383 1.473 . . . . 0.0 109.345 169.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -134.03 148.13 51.04 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.511 1.524 . . . . 0.0 112.294 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -123.72 144.71 49.5 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.763 1.625 . . . . 0.0 109.958 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -68.09 140.44 56.24 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.326 1.051 . . . . 0.0 113.083 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.7 pt -128.02 167.56 22.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.085 1.354 . . . . 0.0 110.81 170.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -155.98 165.85 35.22 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.079 1.352 . . . . 0.0 113.028 175.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.3 mtp-105 -102.45 152.18 21.43 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.162 1.385 . . . . 0.0 109.381 166.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.34 -179.67 7.75 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.402 1.481 . . . . 0.0 111.608 175.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 27.7 mm -130.04 139.18 52.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 C-N-CA 126.007 1.723 . . . . 0.0 109.057 -176.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.662 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.2 mp -83.37 139.52 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.207 176.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -96.87 -21.91 17.21 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.162 1.385 . . . . 0.0 114.587 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.7 mm 76.45 126.8 0.03 OUTLIER Pre-proline 0 N--CA 1.485 1.277 0 C-N-CA 129.441 3.096 . . . . 0.0 111.793 177.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_endo -79.42 167.22 21.43 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 124.12 3.213 . . . . 0.0 112.115 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -59.83 -26.33 65.71 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.323 0.86 . . . . 0.0 113.323 175.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -57.82 -20.52 36.52 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 125.502 1.521 . . . . 0.0 113.582 173.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -79.51 -10.69 85.62 Favored Glycine 0 CA--C 1.533 1.195 0 C-N-CA 125.403 1.478 . . . . 0.0 115.339 174.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 60.9 t -81.41 122.94 37.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 CA-C-N 118.592 1.196 . . . . 0.0 109.507 177.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 11.9 m -162.98 160.49 24.76 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 127.161 2.184 . . . . 0.0 110.429 -178.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.35 149.29 45.29 Favored Glycine 0 CA--C 1.542 1.759 0 CA-C-O 119.019 -0.878 . . . . 0.0 112.786 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -75.07 148.36 34.89 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 123.687 2.924 . . . . 0.0 111.866 -176.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 54.4 p -90.24 1.23 56.7 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.09 1.356 . . . . 0.0 113.514 176.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 15.6 m -65.36 140.15 58.63 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.78 1.632 . . . . 0.0 113.395 -177.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 CA-C-O 118.311 -1.272 . . . . 0.0 112.855 177.929 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo . . . . . 0 N--CA 1.48 0.717 0 N-CA-C 113.35 0.481 . . . . 0.0 113.35 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.9 p -164.34 -82.98 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.735 1.214 . . . . 0.0 111.221 -178.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.7 p -84.66 -11.96 54.87 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.151 1.381 . . . . 0.0 113.127 172.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.82 -165.92 31.91 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 126.368 1.937 . . . . 0.0 112.945 176.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.4 m -147.37 147.54 30.4 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 126.144 1.778 . . . . 0.0 110.787 -177.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.2 m -131.75 13.7 4.87 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -170.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.44 136.34 14.59 Favored Glycine 0 CA--C 1.532 1.112 0 C-N-CA 124.611 1.1 . . . . 0.0 112.757 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -144.54 167.33 22.79 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.566 1.946 . . . . 0.0 111.471 -177.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.8 tp -154.86 151.16 28.26 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.561 1.545 . . . . 0.0 110.585 -174.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -145.27 170.95 15.28 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.959 1.703 . . . . 0.0 110.996 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -140.78 161.21 55.43 Favored Pre-proline 0 CA--C 1.554 1.097 0 C-N-CA 126.336 1.855 . . . . 0.0 113.331 -168.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -72.19 176.36 8.63 Favored 'Trans proline' 0 C--N 1.354 0.837 0 C-N-CA 124.229 3.286 . . . . 0.0 113.072 -175.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.6 t -159.14 167.46 29.08 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 126.156 1.782 . . . . 0.0 111.697 -173.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp -108.43 -4.53 17.26 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 126.432 1.893 . . . . 0.0 111.855 -178.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.0 mt -90.35 -175.04 4.36 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.962 1.305 . . . . 0.0 112.571 -176.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.9 m -102.01 158.35 31.95 Favored Pre-proline 0 CA--C 1.541 0.61 0 C-N-CA 126.677 1.991 . . . . 0.0 111.963 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -60.86 -25.05 80.57 Favored 'Trans proline' 0 CA--C 1.534 0.503 0 C-N-CA 123.879 3.053 . . . . 0.0 113.098 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -86.38 -11.38 52.17 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.495 1.118 . . . . 0.0 113.961 177.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -86.29 -51.15 6.43 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.679 1.192 . . . . 0.0 110.899 173.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.61 -50.61 71.87 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.526 1.53 . . . . 0.0 110.584 -176.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -60.49 -34.64 74.36 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 112.832 0.678 . . . . 0.0 112.832 174.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.15 -41.29 70.63 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.963 0.801 . . . . 0.0 112.39 177.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.68 -44.6 77.39 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.916 0.886 . . . . 0.0 111.895 174.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.8 t -65.43 -28.52 69.3 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.872 1.269 . . . . 0.0 113.112 -179.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -61.59 -27.68 68.81 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.004 0.922 . . . . 0.0 112.594 172.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.67 -66.33 1.46 Allowed Glycine 0 CA--C 1.529 0.956 0 C-N-CA 125.161 1.362 . . . . 0.0 110.647 169.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -163.38 -31.82 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.182 1.393 . . . . 0.0 113.681 171.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.88 -3.15 45.02 Favored Glycine 0 N--CA 1.477 1.411 0 C-N-CA 125.361 1.458 . . . . 0.0 114.629 179.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.84 -178.81 6.41 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.315 1.446 . . . . 0.0 112.353 172.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -171.34 153.48 3.61 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.067 1.747 . . . . 0.0 112.562 178.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.676 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -154.5 156.31 36.45 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.139 1.775 . . . . 0.0 110.474 176.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -108.78 151.45 26.21 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.192 0.997 . . . . 0.0 111.197 170.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -138.54 158.34 44.43 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.666 1.586 . . . . 0.0 111.807 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -134.63 147.04 50.09 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.585 1.554 . . . . 0.0 111.71 175.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -72.75 106.19 4.63 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 123.449 0.699 . . . . 0.0 109.753 172.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -94.96 -170.47 36.81 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 124.977 1.275 . . . . 0.0 111.495 169.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.3 ttm105 -73.49 -23.64 60.08 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -171.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -111.47 -7.89 14.31 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 125.402 1.481 . . . . 0.0 114.809 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.05 -167.73 30.05 Favored Glycine 0 N--CA 1.473 1.126 0 C-N-CA 126.079 1.8 . . . . 0.0 113.178 178.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -66.34 128.89 37.92 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.605 0.762 . . . . 0.0 111.73 172.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 44.0 m95 -127.23 142.95 51.35 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 125.002 1.321 . . . . 0.0 111.187 176.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -81.16 140.01 35.24 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.534 0.734 . . . . 0.0 111.609 -171.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -71.74 155.41 40.49 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.906 0.882 . . . . 0.0 112.726 169.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -66.77 155.55 37.86 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.657 1.183 . . . . 0.0 112.183 172.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -67.16 -22.26 65.77 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.723 1.209 . . . . 0.0 113.306 -176.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -92.32 -13.33 30.45 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.945 0.898 . . . . 0.0 112.197 176.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.9 m -95.97 -53.44 3.67 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.116 1.367 . . . . 0.0 111.228 176.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.0 p -58.86 -30.74 67.95 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -28.87 70.14 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 118.861 -0.59 . . . . 0.0 112.432 174.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -71.83 -37.98 70.23 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.112 0.869 . . . . 0.0 110.106 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.9 mt -69.24 -42.41 75.68 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.741 1.616 . . . . 0.0 110.936 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -70.17 -26.43 63.91 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.043 0.937 . . . . 0.0 113.127 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -82.61 -36.38 26.17 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 120.457 -1.402 . . . . 0.0 111.393 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.94 -51.14 70.34 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.477 1.511 . . . . 0.0 114.002 -177.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.8 p90 -68.49 -23.98 64.63 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 118.608 0.64 . . . . 0.0 111.988 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.3 t -76.26 -30.11 57.72 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.648 1.179 . . . . 0.0 112.305 175.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.7 mtpp -75.87 -41.36 52.42 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.502 1.121 . . . . 0.0 111.976 174.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 126.39 -7.55 7.52 Favored Glycine 0 N--CA 1.469 0.879 0 C-N-CA 125.216 1.389 . . . . 0.0 114.352 177.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -66.93 151.22 48.0 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.024 1.412 . . . . 0.0 112.292 171.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 28.7 pttt -97.63 -1.24 44.15 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.743 1.217 . . . . 0.0 113.727 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -169.87 153.35 4.79 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.458 1.903 . . . . 0.0 109.676 178.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.1 t -143.6 164.93 29.0 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.057 1.343 . . . . 0.0 111.298 -175.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -113.05 142.06 46.16 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 125.203 1.401 . . . . 0.0 110.832 -176.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 14.7 ptt? -144.81 144.63 31.25 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 124.84 1.256 . . . . 0.0 111.902 -173.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -100.65 141.5 33.43 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 125.59 1.556 . . . . 0.0 109.628 175.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.58 -153.7 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 124.889 1.275 . . . . 0.0 111.477 -178.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.08 -15.51 14.31 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.638 1.718 . . . . 0.0 115.638 177.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.23 16.55 0.03 OUTLIER Glycine 0 CA--C 1.535 1.296 0 N-CA-C 116.908 1.523 . . . . 0.0 116.908 178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -149.91 155.58 40.26 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 118.965 1.383 . . . . 0.0 111.902 -169.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.71 124.35 43.49 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 107.772 -1.196 . . . . 0.0 107.772 171.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -118.48 138.92 52.16 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 124.479 1.112 . . . . 0.0 111.315 172.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 17.0 t -91.77 128.69 43.3 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 125.504 1.522 . . . . 0.0 107.181 170.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.73 119.99 40.94 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.538 1.535 . . . . 0.0 109.759 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -106.34 121.08 43.5 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.17 1.788 . . . . 0.0 111.329 -172.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.2 mt -80.89 -20.89 41.22 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.931 1.693 . . . . 0.0 113.288 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -68.02 -50.7 53.86 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.995 0.816 . . . . 0.0 112.026 -179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -101.72 -10.89 19.57 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.942 1.697 . . . . 0.0 112.14 -174.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.1 mmt 57.87 68.86 0.79 Allowed 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 126.959 2.104 . . . . 0.0 111.344 -171.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 26.9 m -147.81 162.77 6.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 124.279 1.032 . . . . 0.0 112.319 -175.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.38 148.71 51.33 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.436 1.495 . . . . 0.0 112.094 173.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 27.4 p90 -162.1 162.81 28.77 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.953 1.701 . . . . 0.0 112.986 -173.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 29.3 mtp-105 -80.74 146.05 31.21 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.301 1.041 . . . . 0.0 111.081 170.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.2 mtp-105 -52.76 -38.35 60.86 Favored 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 114.827 1.417 . . . . 0.0 114.827 -169.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -94.6 -4.41 47.85 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 124.757 1.223 . . . . 0.0 113.723 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -102.69 31.39 4.15 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.282 1.833 . . . . 0.0 111.736 -173.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 35.4 p80 -56.7 -20.01 19.57 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 116.068 1.877 . . . . 0.0 116.068 -169.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -76.98 -5.54 84.9 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 125.768 1.652 . . . . 0.0 114.789 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 74.8 ttt-85 -144.41 141.07 29.41 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.068 1.747 . . . . 0.0 111.062 -175.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -162.91 157.92 21.79 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.496 1.119 . . . . 0.0 112.989 -169.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 54.4 mtm180 -130.75 136.35 48.66 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.661 1.584 . . . . 0.0 110.528 -173.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.6 mmmm -58.45 147.64 30.94 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 115.319 1.6 . . . . 0.0 115.319 -172.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 5.0 pt -130.29 165.48 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.15 0 C-N-CA 125.835 1.654 . . . . 0.0 110.107 168.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.5 pttt -155.95 170.5 21.99 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.678 1.191 . . . . 0.0 113.123 177.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 78.7 mtt85 -104.37 152.88 21.75 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.112 1.365 . . . . 0.0 109.494 166.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -149.02 179.44 7.87 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.546 1.539 . . . . 0.0 111.233 171.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.0 mm -128.22 137.76 56.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.268 1.427 . . . . 0.0 110.366 -174.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.676 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.1 mp -90.5 141.21 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 124.078 0.951 . . . . 0.0 110.203 171.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -100.96 -24.95 14.24 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 -179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.9 mm 72.3 127.76 0.03 OUTLIER Pre-proline 0 N--CA 1.487 1.413 0 C-N-CA 128.693 2.797 . . . . 0.0 112.394 176.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -78.42 164.66 26.15 Favored 'Trans proline' 0 C--N 1.35 0.647 0 C-N-CA 123.861 3.041 . . . . 0.0 111.456 178.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -59.5 -33.14 70.97 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 176.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -63.73 -22.88 67.13 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.492 1.517 . . . . 0.0 113.397 174.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -86.29 -13.07 69.09 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 125.462 1.506 . . . . 0.0 114.894 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 58.3 t -71.62 112.37 6.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 CA-C-N 118.536 1.168 . . . . 0.0 109.502 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 18.4 m -139.46 10.17 2.49 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.506 1.122 . . . . 0.0 113.75 -170.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.12 -167.41 49.46 Favored Glycine 0 CA--C 1.543 1.795 0 C-N-CA 124.421 1.01 . . . . 0.0 112.765 -171.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -71.11 129.92 16.9 Favored 'Trans proline' 0 C--N 1.35 0.617 0 C-N-CA 123.437 2.758 . . . . 0.0 110.9 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.7 t -170.06 -173.72 1.6 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.943 1.697 . . . . 0.0 111.007 -175.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 39.3 m 68.78 14.65 8.97 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 126.821 2.048 . . . . 0.0 114.974 173.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.152 0 C-N-CA 125.551 1.548 . . . . 0.0 113.561 179.593 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo . . . . . 0 CA--C 1.537 0.654 0 N-CA-C 113.139 0.4 . . . . 0.0 113.139 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.1 m -78.46 -2.06 36.67 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -174.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.8 t -161.23 170.06 20.99 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.887 1.675 . . . . 0.0 111.136 -179.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.44 -141.0 15.47 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 125.3 1.429 . . . . 0.0 111.827 -174.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.0 m -72.97 5.7 3.13 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 -174.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.6 p -76.48 -8.76 57.84 Favored 'General case' 0 CA--C 1.546 0.793 0 O-C-N 120.456 -1.402 . . . . 0.0 114.12 176.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.7 147.16 14.38 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 124.807 1.194 . . . . 0.0 113.924 176.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 69.7 m-85 -146.87 161.24 41.12 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 127.075 2.15 . . . . 0.0 110.727 -177.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 51.8 tp -156.01 151.05 26.41 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.133 1.373 . . . . 0.0 111.308 -175.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -148.52 169.02 21.21 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.3 1.84 . . . . 0.0 111.095 178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -88.31 159.3 47.78 Favored Pre-proline 0 CA--C 1.553 1.064 0 C-N-CA 126.402 1.881 . . . . 0.0 114.008 -171.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -74.21 177.22 8.55 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 124.335 3.357 . . . . 0.0 112.647 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.4 t -161.46 169.63 21.51 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.835 1.654 . . . . 0.0 111.88 -175.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp -113.33 -4.54 13.65 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.592 1.957 . . . . 0.0 111.825 -179.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.9 mt -88.67 -175.69 5.01 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.848 1.259 . . . . 0.0 112.583 -176.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.9 m -98.14 157.67 34.09 Favored Pre-proline 0 CA--C 1.54 0.591 0 C-N-CA 126.542 1.937 . . . . 0.0 112.008 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -61.07 -24.42 79.4 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 C-N-CA 123.952 3.101 . . . . 0.0 113.108 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -86.8 -11.44 50.96 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.528 1.131 . . . . 0.0 113.896 177.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -86.56 -51.28 6.26 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.763 1.225 . . . . 0.0 110.937 173.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 9.7 mt -61.16 -50.82 71.62 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 125.566 1.546 . . . . 0.0 110.753 -177.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -61.19 -31.54 71.29 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 175.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.44 -41.68 62.93 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.019 0.827 . . . . 0.0 112.451 176.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.57 -43.25 81.07 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.9 0.88 . . . . 0.0 111.928 174.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.5 t -68.44 -20.72 64.66 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.479 1.112 . . . . 0.0 113.306 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -66.1 -27.05 67.77 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.805 0.842 . . . . 0.0 112.072 171.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -85.69 -66.46 1.42 Allowed Glycine 0 CA--C 1.528 0.864 0 C-N-CA 125.215 1.388 . . . . 0.0 110.691 169.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -164.18 -31.42 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.885 1.274 . . . . 0.0 113.816 173.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.82 -2.18 52.26 Favored Glycine 0 N--CA 1.476 1.342 0 C-N-CA 125.281 1.419 . . . . 0.0 114.67 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.24 -178.72 6.55 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.365 1.466 . . . . 0.0 112.096 171.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -171.41 152.73 3.35 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.983 1.713 . . . . 0.0 112.536 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.706 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -153.24 152.74 31.52 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.827 1.651 . . . . 0.0 110.728 177.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -108.26 149.51 28.51 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.791 1.236 . . . . 0.0 110.578 173.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -139.66 150.01 44.4 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.731 1.612 . . . . 0.0 112.027 -177.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -135.87 150.98 49.56 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.384 1.474 . . . . 0.0 112.072 179.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -75.96 113.05 13.03 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 120.776 0.322 . . . . 0.0 110.881 172.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.24 -146.85 20.68 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 125.369 1.461 . . . . 0.0 111.955 170.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.1 ttp180 -76.08 -42.57 46.89 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 123.747 0.819 . . . . 0.0 112.44 178.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -106.85 -8.94 16.52 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.189 1.551 . . . . 0.0 115.189 -170.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 155.96 -159.48 29.36 Favored Glycine 0 N--CA 1.473 1.166 0 C-N-CA 124.847 1.213 . . . . 0.0 113.315 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -76.17 131.11 39.16 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.164 0.986 . . . . 0.0 111.644 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.5 m95 -130.81 143.32 50.66 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.962 1.305 . . . . 0.0 111.268 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -83.08 141.15 32.22 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.615 0.766 . . . . 0.0 111.143 -174.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -70.51 162.83 28.07 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 169.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -76.13 154.35 35.55 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.268 0.627 . . . . 0.0 110.202 169.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -68.24 -19.62 64.75 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.407 1.083 . . . . 0.0 113.6 -177.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -67.76 -37.06 81.61 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.946 0.899 . . . . 0.0 111.416 170.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.1 m -90.3 -52.62 4.84 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 126.521 1.928 . . . . 0.0 112.431 -173.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 85.2 p -60.43 -30.68 69.79 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 119.332 0.969 . . . . 0.0 113.528 -173.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.31 -29.74 71.0 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-O 118.754 -0.641 . . . . 0.0 112.233 175.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -69.63 -35.55 75.33 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.278 0.945 . . . . 0.0 110.362 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.9 mt -74.57 -42.8 58.11 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.864 1.666 . . . . 0.0 110.693 -177.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -69.52 -26.95 64.77 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.944 0.898 . . . . 0.0 113.248 174.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -80.56 -35.71 33.98 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 120.593 -1.317 . . . . 0.0 111.432 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.83 -52.33 65.52 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.235 1.414 . . . . 0.0 114.336 -176.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -68.17 -23.22 64.83 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 118.678 0.672 . . . . 0.0 112.055 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 t -76.53 -31.2 57.5 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.699 1.2 . . . . 0.0 112.31 174.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -74.54 -41.26 60.9 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.621 1.169 . . . . 0.0 111.846 174.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 126.08 -7.57 7.66 Favored Glycine 0 N--CA 1.469 0.852 0 C-N-CA 125.083 1.325 . . . . 0.0 114.218 178.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -66.73 150.84 48.51 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 119.062 1.431 . . . . 0.0 112.223 171.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -97.88 -1.3 43.3 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.959 1.304 . . . . 0.0 113.517 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -167.86 150.17 5.63 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.09 1.756 . . . . 0.0 110.663 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.4 t -140.84 -179.9 6.33 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 125.681 1.592 . . . . 0.0 110.91 -176.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -130.71 145.13 51.86 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 125.077 1.351 . . . . 0.0 111.614 -170.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -153.62 151.35 29.62 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.829 1.251 . . . . 0.0 112.093 -174.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.34 142.33 34.75 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.962 1.705 . . . . 0.0 109.989 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -119.35 -150.93 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.874 1.27 . . . . 0.0 111.712 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.89 -15.84 24.6 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.45 13.85 0.03 OUTLIER Glycine 0 CA--C 1.534 1.269 0 N-CA-C 116.847 1.499 . . . . 0.0 116.847 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.6 m-85 -149.18 150.24 32.31 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.909 1.355 . . . . 0.0 112.321 -169.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.41 125.43 35.55 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.656 1.183 . . . . 0.0 108.462 169.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -117.39 134.82 54.38 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.845 1.258 . . . . 0.0 112.015 173.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 42.1 t -90.65 108.62 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 C-N-CA 125.658 1.583 . . . . 0.0 108.402 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.491 ' HB2' HE22 ' A' ' 80' ' ' GLN . . . -81.34 100.14 9.05 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.971 1.708 . . . . 0.0 111.284 178.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -89.31 116.78 27.78 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.931 1.292 . . . . 0.0 111.119 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 18.5 mt -77.19 -22.5 52.29 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.317 1.447 . . . . 0.0 112.76 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -67.62 -48.28 67.24 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 118.954 0.797 . . . . 0.0 112.321 -176.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -100.24 -11.14 20.63 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.09 1.756 . . . . 0.0 111.495 -178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 58.76 66.84 1.0 Allowed 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 126.889 2.076 . . . . 0.0 111.052 -170.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.2 m -147.24 157.73 9.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -174.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.491 HE22 ' HB2' ' A' ' 73' ' ' ALA . 47.5 mm-40 -114.02 140.15 48.68 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 126.553 1.941 . . . . 0.0 111.451 172.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -153.45 153.84 33.27 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.924 1.29 . . . . 0.0 112.209 171.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -71.95 140.72 49.31 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.921 0.888 . . . . 0.0 110.419 174.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 72.6 mtp85 -47.66 -36.55 11.2 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 115.105 1.52 . . . . 0.0 115.105 -173.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -97.13 -4.73 38.78 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.673 1.189 . . . . 0.0 114.201 -177.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -102.79 109.34 20.89 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.767 1.227 . . . . 0.0 111.267 -174.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -93.11 -22.42 19.1 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.818 1.247 . . . . 0.0 113.236 177.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -80.05 -12.21 83.59 Favored Glycine 0 CA--C 1.534 1.276 0 C-N-CA 124.937 1.256 . . . . 0.0 115.628 -171.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 38.6 mtm180 -140.51 165.2 28.1 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.301 1.441 . . . . 0.0 113.787 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.7 ptt180 -165.49 157.17 14.61 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 127.291 2.236 . . . . 0.0 112.215 169.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -118.06 127.09 53.46 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 126.165 1.786 . . . . 0.0 110.604 177.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.2 145.68 55.5 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.878 1.271 . . . . 0.0 113.34 179.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.1 pt -131.88 167.02 27.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 C-N-CA 125.287 1.435 . . . . 0.0 111.609 177.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.8 pttt -155.63 166.52 33.26 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.316 1.446 . . . . 0.0 112.467 -178.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -105.1 154.07 20.66 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.978 1.311 . . . . 0.0 111.028 168.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -146.81 -179.18 6.61 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.631 1.572 . . . . 0.0 110.97 169.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.8 mm -128.5 137.95 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.49 0 C-N-CA 125.813 1.645 . . . . 0.0 109.963 -174.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.706 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.1 mp -90.28 140.88 15.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 C-N-CA 123.97 0.908 . . . . 0.0 110.167 171.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -101.78 -23.39 14.2 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 -178.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 25.2 mm 72.92 128.64 0.03 OUTLIER Pre-proline 0 N--CA 1.488 1.469 0 C-N-CA 128.574 2.749 . . . . 0.0 112.159 176.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -76.29 164.06 31.57 Favored 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 123.647 2.898 . . . . 0.0 111.486 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -58.88 -29.58 67.11 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -68.98 -23.55 64.13 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.406 1.483 . . . . 0.0 113.354 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -91.94 -8.95 62.91 Favored Glycine 0 N--CA 1.475 1.237 0 C-N-CA 125.789 1.662 . . . . 0.0 115.342 -177.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 72.9 t -74.99 120.42 24.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.554 1.142 . . . . 0.0 110.009 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 12.6 m -162.16 138.84 8.0 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 126.66 1.984 . . . . 0.0 110.796 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -101.11 171.39 22.41 Favored Glycine 0 CA--C 1.542 1.742 0 C-N-CA 125.003 1.287 . . . . 0.0 113.509 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -73.79 153.05 48.01 Favored 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 123.921 3.08 . . . . 0.0 111.298 177.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.6 m -77.83 -2.38 36.25 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 -175.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.7 m -167.47 161.99 14.24 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 127.213 2.205 . . . . 0.0 111.323 -177.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 C-N-CA 125.027 1.299 . . . . 0.0 112.719 177.808 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo . . . . . 0 N--CA 1.485 0.986 0 N-CA-C 113.023 0.355 . . . . 0.0 113.023 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m 69.08 8.89 7.1 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 125.666 1.586 . . . . 0.0 115.002 169.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.8 t -163.79 160.48 22.46 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 126.245 1.818 . . . . 0.0 110.735 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.55 156.95 33.95 Favored Glycine 0 CA--C 1.532 1.116 0 C-N-CA 124.699 1.142 . . . . 0.0 113.6 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -85.63 8.22 20.35 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.818 1.247 . . . . 0.0 113.804 -178.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 m -73.37 23.28 0.07 Allowed 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 127.009 2.124 . . . . 0.0 115.929 -169.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.35 -179.0 52.29 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 124.921 1.248 . . . . 0.0 113.385 175.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 45.2 p90 -73.14 171.84 12.19 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.198 0.999 . . . . 0.0 112.046 173.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.9 tp -122.49 137.8 54.76 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.852 1.261 . . . . 0.0 111.083 177.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.9 t0 -150.01 169.76 20.45 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.486 1.914 . . . . 0.0 110.275 173.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -141.11 159.51 61.36 Favored Pre-proline 0 CA--C 1.549 0.914 0 C-N-CA 126.578 1.951 . . . . 0.0 112.909 -169.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -72.31 171.11 17.62 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 124.056 3.171 . . . . 0.0 112.68 -174.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.2 t -170.09 173.43 5.92 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.383 1.873 . . . . 0.0 111.246 -169.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mt -105.76 -19.16 13.84 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.064 2.146 . . . . 0.0 111.658 177.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.0 mt -78.57 179.37 7.13 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 123.03 1.395 . . . . 0.0 113.366 -174.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.9 m -87.32 155.12 54.54 Favored Pre-proline 0 CA--C 1.541 0.6 0 C-N-CA 126.68 1.992 . . . . 0.0 112.285 177.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.1 Cg_endo -62.69 -18.69 65.37 Favored 'Trans proline' 0 CA--C 1.537 0.626 0 C-N-CA 124.124 3.216 . . . . 0.0 113.218 178.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -83.09 -33.25 26.42 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.908 0.883 . . . . 0.0 112.147 176.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -68.93 -49.01 61.78 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.117 1.367 . . . . 0.0 111.796 -176.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 mt -64.66 -44.44 90.4 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 125.94 1.696 . . . . 0.0 110.299 -176.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -62.04 -45.39 93.79 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.972 170.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.38 -33.2 75.39 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.509 1.05 . . . . 0.0 113.411 -178.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.3 -28.67 66.99 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.092 0.957 . . . . 0.0 113.561 175.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -95.77 -52.74 3.96 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.843 0.857 . . . . 0.0 111.433 176.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -63.19 -20.96 65.89 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.019 1.728 . . . . 0.0 114.076 -175.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -61.75 -18.65 57.12 Favored Glycine 0 CA--C 1.535 1.322 0 C-N-CA 125.544 1.545 . . . . 0.0 114.617 177.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -146.16 -34.61 0.3 Allowed 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 169.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.48 9.51 69.23 Favored Glycine 0 CA--C 1.535 1.288 0 O-C-N 121.139 -0.976 . . . . 0.0 114.748 172.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.09 -176.2 4.45 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.779 1.632 . . . . 0.0 111.903 171.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -170.38 152.31 4.0 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.616 1.566 . . . . 0.0 112.36 178.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.716 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -153.01 156.46 38.85 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.679 1.592 . . . . 0.0 111.049 177.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 32.8 m95 -116.89 147.84 41.83 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.912 1.285 . . . . 0.0 110.346 171.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.5 m-85 -137.12 155.32 49.76 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.976 1.31 . . . . 0.0 111.627 -178.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -128.4 149.51 50.51 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.826 1.65 . . . . 0.0 111.627 174.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -79.65 108.91 13.56 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 172.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -96.01 -158.13 31.98 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 124.951 1.262 . . . . 0.0 112.126 171.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.76 -44.35 96.85 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.097 0.959 . . . . 0.0 112.83 -177.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -107.73 -9.52 15.79 Favored 'General case' 0 CA--C 1.548 0.885 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 -170.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 153.81 -159.54 28.78 Favored Glycine 0 N--CA 1.473 1.156 0 C-N-CA 125.227 1.394 . . . . 0.0 113.406 179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 97.5 m95 -69.52 132.55 46.44 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.107 0.963 . . . . 0.0 112.596 174.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 72.8 m95 -133.25 139.2 46.81 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.372 1.469 . . . . 0.0 110.782 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -82.0 141.63 33.08 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.576 0.75 . . . . 0.0 111.799 -170.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -71.61 162.57 29.24 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.406 1.082 . . . . 0.0 113.712 171.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -78.41 148.28 33.69 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.81 0.844 . . . . 0.0 110.712 170.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -63.88 -19.96 65.47 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 113.959 1.096 . . . . 0.0 113.959 -178.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -63.26 -39.98 96.12 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.684 1.194 . . . . 0.0 111.525 170.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 66.0 m -92.36 -52.05 4.85 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 127.169 2.187 . . . . 0.0 112.162 -173.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 86.4 p -61.17 -30.09 70.19 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.089 0.859 . . . . 0.0 113.301 -173.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -29.78 70.73 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 174.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.0 -34.7 71.63 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.208 0.913 . . . . 0.0 110.387 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.0 mt -75.24 -43.35 52.07 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.003 1.721 . . . . 0.0 110.495 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -63.86 -30.89 71.93 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.543 1.537 . . . . 0.0 113.219 175.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -81.09 -33.42 33.36 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.155 -0.966 . . . . 0.0 111.546 -177.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.57 -50.84 71.93 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.002 1.321 . . . . 0.0 114.119 -173.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -68.55 -21.82 64.53 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 118.69 0.677 . . . . 0.0 112.317 175.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.9 t -79.96 -28.79 39.57 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.753 1.221 . . . . 0.0 112.406 175.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -76.77 -41.09 46.09 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.993 1.317 . . . . 0.0 111.992 173.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.63 -7.25 8.4 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 124.926 1.251 . . . . 0.0 114.379 178.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -67.35 151.3 47.71 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 118.904 1.352 . . . . 0.0 112.183 171.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -97.47 -2.08 42.79 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.8 1.24 . . . . 0.0 113.677 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -167.47 150.62 6.18 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.974 1.709 . . . . 0.0 110.669 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.3 t -141.63 179.98 6.51 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 125.724 1.609 . . . . 0.0 111.026 -176.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -129.59 146.97 51.35 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 125.344 1.458 . . . . 0.0 111.88 -172.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.0 ptt? -156.26 155.19 31.92 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 125.131 1.373 . . . . 0.0 111.987 -176.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.59 142.42 35.37 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.9 1.68 . . . . 0.0 110.008 177.703 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -119.59 -152.82 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.885 1.274 . . . . 0.0 111.869 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.76 -16.22 15.79 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 115.512 1.671 . . . . 0.0 115.512 178.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.72 15.57 0.03 OUTLIER Glycine 0 CA--C 1.533 1.195 0 N-CA-C 116.656 1.423 . . . . 0.0 116.656 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -150.5 152.19 33.83 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.83 1.315 . . . . 0.0 112.552 -169.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.07 125.83 35.97 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 169.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -118.67 134.16 55.32 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.963 0.905 . . . . 0.0 112.127 171.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 49.6 t -86.13 109.52 18.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 125.892 1.677 . . . . 0.0 108.272 174.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -80.5 99.93 8.29 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.573 1.549 . . . . 0.0 111.105 176.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -86.23 116.23 24.28 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.224 1.41 . . . . 0.0 110.876 175.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.8 mt -71.72 -32.3 67.63 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.022 1.329 . . . . 0.0 112.529 177.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -63.48 -48.63 76.86 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.467 1.107 . . . . 0.0 112.875 -171.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -101.08 -6.78 23.91 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.325 1.45 . . . . 0.0 112.087 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 58.99 65.27 1.24 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.857 2.063 . . . . 0.0 111.553 -174.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.8 m -145.01 160.89 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.242 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -175.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 34.5 mm-40 -121.19 132.32 54.76 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 127.953 2.501 . . . . 0.0 110.339 178.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -152.19 160.15 43.44 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.253 1.021 . . . . 0.0 113.681 176.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 -71.5 140.05 49.8 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.142 0.977 . . . . 0.0 111.116 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -49.06 -39.29 26.97 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.363 1.465 . . . . 0.0 114.517 -175.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -97.1 -0.57 46.87 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 125.044 1.337 . . . . 0.0 113.847 -176.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -147.16 60.54 1.18 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.98 1.312 . . . . 0.0 110.497 -169.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -61.41 -20.47 63.1 Favored 'General case' 0 CA--C 1.548 0.871 0 N-CA-C 114.682 1.364 . . . . 0.0 114.682 -176.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.12 -12.28 75.64 Favored Glycine 0 CA--C 1.535 1.341 0 C-N-CA 125.497 1.522 . . . . 0.0 114.437 177.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.12 14.44 4.23 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 118.783 1.292 . . . . 0.0 113.475 177.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -56.19 146.2 24.06 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 116.448 2.018 . . . . 0.0 116.448 -168.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 -136.13 137.1 40.64 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 127.254 2.222 . . . . 0.0 110.838 -176.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.85 147.85 51.12 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 -171.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 27.2 pt -135.65 170.98 18.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 126.752 2.021 . . . . 0.0 111.446 170.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.7 pttt -155.5 165.86 35.31 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.571 1.548 . . . . 0.0 112.823 173.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 30.0 mtp-105 -101.46 152.04 21.23 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 125.369 1.468 . . . . 0.0 109.623 166.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.31 178.04 10.21 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.141 1.376 . . . . 0.0 111.682 174.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.7 mm -128.52 139.46 51.84 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 C-N-CA 125.485 1.514 . . . . 0.0 110.393 -176.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.716 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.0 mp -92.98 140.85 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.988 0.915 . . . . 0.0 110.448 171.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -104.48 -21.83 13.39 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.7 mm 75.91 127.69 0.03 OUTLIER Pre-proline 0 N--CA 1.486 1.364 0 C-N-CA 129.123 2.969 . . . . 0.0 111.85 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -77.16 166.9 25.77 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 123.778 2.986 . . . . 0.0 111.497 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -58.46 -33.94 70.3 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -64.12 -22.88 67.11 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 125.121 1.368 . . . . 0.0 113.316 174.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -88.93 -8.72 68.93 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 125.814 1.673 . . . . 0.0 115.139 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 65.9 t -76.49 116.23 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-N 118.544 1.172 . . . . 0.0 109.555 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.6 m -165.92 156.87 13.39 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 127.533 2.333 . . . . 0.0 110.218 -178.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -73.35 135.03 20.43 Favored Glycine 0 CA--C 1.542 1.736 0 CA-C-O 118.402 -1.221 . . . . 0.0 111.981 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -77.67 158.4 31.91 Favored 'Trans proline' 0 C--N 1.35 0.636 0 C-N-CA 123.604 2.869 . . . . 0.0 111.786 -179.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.9 m -75.77 -4.54 41.08 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.249 1.203 . . . . 0.0 114.249 -178.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.1 t -164.39 161.41 21.57 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 126.347 1.859 . . . . 0.0 111.007 -178.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.167 0 C-N-CA 125.174 1.369 . . . . 0.0 112.866 -178.265 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo . . . . . 0 CA--C 1.541 0.852 0 N-CA-C 113.462 0.524 . . . . 0.0 113.462 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 t -163.36 152.24 14.32 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 125.036 1.335 . . . . 0.0 111.163 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.0 p -88.76 -6.17 57.58 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.943 1.297 . . . . 0.0 113.455 173.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.29 148.82 30.04 Favored Glycine 0 CA--C 1.532 1.131 0 C-N-CA 124.874 1.226 . . . . 0.0 113.131 -179.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.6 t -165.69 167.39 17.18 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.851 1.66 . . . . 0.0 110.809 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.3 m -167.82 152.08 6.46 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 126.733 2.013 . . . . 0.0 111.206 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.55 147.84 18.83 Favored Glycine 0 CA--C 1.532 1.153 0 C-N-CA 124.767 1.175 . . . . 0.0 112.005 172.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -142.41 159.41 42.28 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.689 1.596 . . . . 0.0 111.987 -173.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.2 tp -155.55 147.67 23.55 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.096 1.759 . . . . 0.0 110.253 -177.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -151.65 173.07 15.11 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.805 1.642 . . . . 0.0 111.575 -176.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -127.51 158.77 68.76 Favored Pre-proline 0 CA--C 1.55 0.974 0 C-N-CA 126.623 1.969 . . . . 0.0 112.944 -173.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -73.36 174.05 12.77 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 124.251 3.301 . . . . 0.0 112.744 -175.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.4 t -166.17 169.08 14.74 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.505 1.922 . . . . 0.0 111.075 -172.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mt -102.72 -20.0 14.54 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.8 2.04 . . . . 0.0 111.589 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.4 mt -77.93 179.17 6.91 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-O 123.065 1.412 . . . . 0.0 113.373 -173.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.9 m -89.85 155.88 47.44 Favored Pre-proline 0 CA--C 1.539 0.55 0 C-N-CA 126.653 1.981 . . . . 0.0 112.3 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -61.82 -20.32 68.79 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 124.113 3.209 . . . . 0.0 113.094 178.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -82.03 -33.37 30.02 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.232 1.013 . . . . 0.0 112.219 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -69.57 -48.67 59.5 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.921 1.288 . . . . 0.0 111.583 -178.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.9 mt -63.73 -48.82 75.51 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 125.749 1.62 . . . . 0.0 109.948 -177.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -58.82 -41.49 86.98 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 118.753 -0.641 . . . . 0.0 112.58 171.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.56 -41.39 93.0 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.607 1.094 . . . . 0.0 112.651 177.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.94 -43.8 91.57 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.066 0.946 . . . . 0.0 111.859 173.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.9 t -65.48 -37.63 87.4 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.818 1.247 . . . . 0.0 112.998 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -68.3 -17.24 64.23 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.956 1.302 . . . . 0.0 113.352 172.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.02 -58.81 2.16 Favored Glycine 0 CA--C 1.53 1.005 0 C-N-CA 124.918 1.247 . . . . 0.0 110.467 169.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -164.3 -30.81 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.431 1.492 . . . . 0.0 113.924 173.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.04 27.83 6.42 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 125.202 1.382 . . . . 0.0 113.626 -169.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -140.39 -176.85 4.77 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.63 1.972 . . . . 0.0 110.332 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.8 p90 -171.66 150.8 2.78 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.467 1.507 . . . . 0.0 112.911 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.719 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -153.51 153.45 32.46 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.244 1.418 . . . . 0.0 112.496 177.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 50.0 m95 -101.54 147.57 26.23 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.493 1.517 . . . . 0.0 110.595 169.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -139.82 150.98 45.34 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.821 1.248 . . . . 0.0 112.154 176.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -130.85 149.92 52.26 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.273 1.429 . . . . 0.0 111.986 175.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -76.6 110.56 11.27 Favored 'General case' 0 CA--C 1.538 0.481 0 CA-C-O 120.753 0.311 . . . . 0.0 110.403 172.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -90.95 -147.65 19.71 Favored Glycine 0 CA--C 1.531 1.047 0 C-N-CA 125.268 1.413 . . . . 0.0 111.714 171.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -73.38 -40.7 64.13 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 122.023 -0.693 . . . . 0.0 112.733 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -108.95 -10.1 15.08 Favored 'General case' 0 CA--C 1.549 0.939 0 N-CA-C 115.48 1.659 . . . . 0.0 115.48 -170.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 155.91 -160.29 29.92 Favored Glycine 0 N--CA 1.474 1.231 0 C-N-CA 125.044 1.307 . . . . 0.0 113.443 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -71.77 131.09 42.6 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.349 1.059 . . . . 0.0 111.915 174.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -131.02 140.86 50.17 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.845 1.258 . . . . 0.0 111.02 177.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -82.24 142.43 32.14 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 124.015 0.926 . . . . 0.0 111.203 -172.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 51.6 m-85 -72.62 162.22 29.76 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -72.12 153.7 41.52 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.837 1.255 . . . . 0.0 111.943 170.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -69.44 -19.6 63.78 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.81 1.244 . . . . 0.0 113.368 -175.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.1 mmt85 -95.07 -13.4 25.19 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.232 1.013 . . . . 0.0 112.079 177.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.4 m -95.49 -53.61 3.68 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.854 1.262 . . . . 0.0 110.979 175.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 64.9 p -58.23 -30.22 66.35 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -178.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -28.85 70.31 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 175.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -71.56 -36.39 70.91 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 118.926 0.785 . . . . 0.0 110.064 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.5 mt -72.65 -41.84 65.01 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 125.935 1.694 . . . . 0.0 110.557 179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.7 tp10 -61.55 -33.24 73.5 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.999 1.32 . . . . 0.0 113.295 172.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -82.09 -34.19 29.43 Favored 'General case' 0 N--CA 1.469 0.486 0 O-C-N 121.274 -0.891 . . . . 0.0 111.249 -175.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.56 -50.37 73.81 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.996 1.318 . . . . 0.0 114.104 -174.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.3 p90 -67.63 -24.48 65.47 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.868 0.758 . . . . 0.0 112.026 175.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.0 t -76.87 -30.55 56.29 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.734 1.214 . . . . 0.0 112.504 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -75.55 -41.31 55.25 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.879 1.272 . . . . 0.0 111.894 174.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.72 -7.44 8.9 Favored Glycine 0 N--CA 1.469 0.888 0 C-N-CA 125.038 1.304 . . . . 0.0 113.952 178.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -65.84 151.03 47.6 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.05 1.425 . . . . 0.0 112.387 172.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -96.49 -2.51 45.08 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.871 1.269 . . . . 0.0 113.551 -178.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -169.03 152.2 5.06 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.263 1.825 . . . . 0.0 110.43 178.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 3.1 t -142.55 -179.12 6.11 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.469 1.507 . . . . 0.0 111.129 -176.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -130.96 146.52 52.39 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 125.32 1.448 . . . . 0.0 111.743 -170.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 3.6 ptt? -155.34 152.93 29.74 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.925 1.29 . . . . 0.0 112.215 -174.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.66 143.07 34.33 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 125.892 1.677 . . . . 0.0 110.212 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.76 -152.52 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.983 1.313 . . . . 0.0 111.966 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.18 -15.63 15.88 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 178.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.45 15.01 0.03 OUTLIER Glycine 0 CA--C 1.534 1.276 0 N-CA-C 116.68 1.432 . . . . 0.0 116.68 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -150.1 150.5 31.78 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.857 1.328 . . . . 0.0 112.381 -169.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.51 126.08 35.8 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.67 1.188 . . . . 0.0 108.227 169.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -118.19 136.89 53.36 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.75 1.22 . . . . 0.0 112.503 173.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 41.0 t -92.47 109.11 21.06 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 C-N-CA 126.226 1.81 . . . . 0.0 108.517 179.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.447 ' HB2' HE22 ' A' ' 80' ' ' GLN . . . -81.55 101.91 10.27 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.606 1.562 . . . . 0.0 111.273 177.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -89.12 111.81 22.66 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.603 1.161 . . . . 0.0 110.684 177.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 14.7 mt -70.96 -26.7 63.28 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.562 1.545 . . . . 0.0 113.098 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -73.55 -46.39 47.81 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 123.9 0.88 . . . . 0.0 112.621 -172.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 -101.13 -6.66 24.03 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.502 1.521 . . . . 0.0 112.107 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.4 mmt 57.92 64.83 1.43 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.772 2.029 . . . . 0.0 111.617 -175.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 23.9 m -145.02 157.45 13.87 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 N-CA-C 114.076 1.139 . . . . 0.0 114.076 -177.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.447 HE22 ' HB2' ' A' ' 73' ' ' ALA . 36.5 mm-40 -120.5 129.58 53.9 Favored 'General case' 0 N--CA 1.461 0.108 0 C-N-CA 126.76 2.024 . . . . 0.0 110.82 176.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -148.63 157.91 43.78 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.705 1.202 . . . . 0.0 113.122 176.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.1 ttt-85 -73.06 143.13 47.57 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 124.583 1.153 . . . . 0.0 111.044 175.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.9 mtp85 -52.02 -32.87 35.93 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 114.836 1.421 . . . . 0.0 114.836 -173.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.6 t30 -86.18 -19.43 30.06 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -174.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -156.15 127.91 7.33 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-O 122.578 1.18 . . . . 0.0 113.399 -178.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 53.4 p-80 -82.94 -15.75 50.11 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.209 1.404 . . . . 0.0 114.067 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.1 -13.88 60.54 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 125.091 1.329 . . . . 0.0 115.011 -175.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -86.23 1.13 51.97 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.511 1.525 . . . . 0.0 113.475 173.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -54.37 128.77 33.03 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -168.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 89.2 mtt-85 -112.29 132.89 54.71 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.87 2.068 . . . . 0.0 110.524 178.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.2 mmmt -67.08 145.76 55.01 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.881 1.272 . . . . 0.0 113.354 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.5 pt -129.36 170.63 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.459 1.503 . . . . 0.0 111.462 174.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -152.05 165.18 35.51 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.692 1.197 . . . . 0.0 112.767 178.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 61.3 mtp85 -106.1 142.31 36.01 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 126.107 1.763 . . . . 0.0 109.063 169.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -149.57 179.99 7.54 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.786 1.234 . . . . 0.0 112.235 -178.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.0 mm -129.48 139.83 50.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 C-N-CA 125.916 1.686 . . . . 0.0 110.263 -175.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.719 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.4 mp -90.4 141.56 14.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.232 1.013 . . . . 0.0 110.521 172.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -99.78 -22.98 15.13 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 20.7 mm 73.34 127.12 0.03 OUTLIER Pre-proline 0 N--CA 1.487 1.376 0 C-N-CA 128.836 2.854 . . . . 0.0 112.46 175.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -80.12 165.48 21.49 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 124.087 3.191 . . . . 0.0 111.542 177.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.6 ptpp? -60.63 -32.57 71.72 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 175.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -62.97 -20.25 65.08 Favored 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 125.439 1.496 . . . . 0.0 113.437 173.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -83.38 -12.74 77.96 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 125.505 1.526 . . . . 0.0 114.846 178.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 62.0 t -70.52 116.31 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 CA-C-N 118.561 1.18 . . . . 0.0 109.129 177.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.4 m -131.07 6.81 4.61 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 -169.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.32 -170.59 52.55 Favored Glycine 0 CA--C 1.544 1.848 0 C-N-CA 124.447 1.023 . . . . 0.0 113.51 -177.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -74.21 155.33 46.86 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 123.866 3.044 . . . . 0.0 111.972 -177.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 8.7 t -164.74 176.75 8.53 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.586 1.555 . . . . 0.0 111.084 -179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 26.7 t -160.81 140.57 10.89 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.404 1.482 . . . . 0.0 111.3 -178.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.159 0 C-N-CA 125.629 1.585 . . . . 0.0 113.133 177.652 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 CA--C 1.54 0.79 0 N-CA-C 113.351 0.481 . . . . 0.0 113.351 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 m -163.05 158.28 21.86 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 126.566 1.946 . . . . 0.0 110.472 178.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 m -78.38 0.46 25.58 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 -174.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.39 -141.31 7.62 Favored Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.735 1.636 . . . . 0.0 113.103 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.1 t -161.04 -39.23 0.05 OUTLIER 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.654 1.182 . . . . 0.0 112.301 -178.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.9 p -157.16 160.44 38.77 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.245 1.418 . . . . 0.0 111.624 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.42 165.93 41.65 Favored Glycine 0 CA--C 1.535 1.293 0 C-N-CA 124.636 1.112 . . . . 0.0 113.459 -175.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -144.87 172.11 13.49 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.236 1.815 . . . . 0.0 111.577 -171.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.4 tp -139.17 135.51 34.09 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.493 1.517 . . . . 0.0 110.072 178.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -158.23 168.9 25.78 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.862 1.665 . . . . 0.0 111.521 -171.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.3 mttt -66.67 158.9 77.62 Favored Pre-proline 0 CA--C 1.554 1.118 0 C-N-CA 126.805 2.042 . . . . 0.0 113.223 176.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_endo -72.11 172.08 15.47 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 123.908 3.072 . . . . 0.0 112.768 -174.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.7 t -167.09 171.33 11.09 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.599 1.96 . . . . 0.0 111.234 -169.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp -107.72 -4.41 18.2 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.169 1.788 . . . . 0.0 111.726 -179.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.4 mt -90.61 -178.91 5.42 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.828 1.251 . . . . 0.0 112.518 -177.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.6 m -89.77 156.27 47.41 Favored Pre-proline 0 CA--C 1.54 0.587 0 C-N-CA 126.329 1.852 . . . . 0.0 111.656 174.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -61.96 -21.36 72.19 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 124.09 3.193 . . . . 0.0 113.053 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -79.88 -32.81 40.36 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.315 1.046 . . . . 0.0 112.275 176.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -69.38 -48.22 61.83 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.944 1.298 . . . . 0.0 111.956 -174.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 mt -65.04 -41.9 94.78 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 125.781 1.632 . . . . 0.0 110.261 -176.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -63.64 -46.46 85.54 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.511 0.724 . . . . 0.0 111.826 170.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.34 -33.32 75.57 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.236 0.925 . . . . 0.0 113.327 -178.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.57 -28.91 65.98 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.317 1.047 . . . . 0.0 113.393 174.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 24.7 t -93.51 -51.3 5.02 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.883 0.873 . . . . 0.0 111.546 176.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 tpp85 -60.41 -21.79 62.64 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.178 1.791 . . . . 0.0 114.377 -176.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -65.66 -19.38 67.07 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 125.146 1.355 . . . . 0.0 114.869 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -151.19 -34.25 0.15 Allowed 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.991 1.478 . . . . 0.0 114.991 174.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.99 12.17 71.77 Favored Glycine 0 N--CA 1.478 1.462 0 O-C-N 121.01 -1.056 . . . . 0.0 115.072 173.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.32 -174.93 3.48 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.002 1.721 . . . . 0.0 111.531 170.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -171.3 152.23 3.3 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 125.85 1.66 . . . . 0.0 111.807 177.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.736 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -151.49 145.67 25.35 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.871 1.668 . . . . 0.0 110.019 175.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 27.6 m95 -107.34 147.8 29.84 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.515 1.126 . . . . 0.0 110.063 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -138.23 150.08 46.37 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.984 1.314 . . . . 0.0 111.934 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -137.18 155.79 49.12 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 125.539 1.536 . . . . 0.0 111.854 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -76.75 117.22 18.15 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-O 121.041 0.448 . . . . 0.0 111.85 175.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -104.74 -161.86 24.04 Favored Glycine 0 CA--C 1.534 1.228 0 C-N-CA 125.259 1.409 . . . . 0.0 112.165 169.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -61.77 -45.03 95.66 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.057 0.943 . . . . 0.0 112.735 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -106.69 -7.38 17.33 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 -169.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 155.32 -159.2 28.98 Favored Glycine 0 N--CA 1.473 1.12 0 C-N-CA 125.026 1.298 . . . . 0.0 113.393 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 88.4 m95 -77.51 132.79 38.56 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.308 1.043 . . . . 0.0 111.661 175.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 71.6 m95 -131.81 144.58 51.02 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.804 1.242 . . . . 0.0 111.264 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -84.01 141.86 30.89 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.027 0.931 . . . . 0.0 111.236 -173.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -71.2 161.73 30.61 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 169.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -74.02 150.75 40.5 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.778 0.831 . . . . 0.0 111.171 169.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.49 -22.08 66.86 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 -177.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -68.79 -39.5 80.1 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 121.362 -0.836 . . . . 0.0 111.349 170.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.2 m -82.06 -53.17 6.33 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.691 1.597 . . . . 0.0 112.524 -176.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.1 p -61.53 -31.53 71.55 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -171.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -28.35 69.87 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-O 118.899 -0.572 . . . . 0.0 112.263 175.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -70.46 -36.76 74.1 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-N 119.301 0.955 . . . . 0.0 110.304 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 20.2 mt -71.22 -43.07 68.05 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.892 1.677 . . . . 0.0 110.437 179.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.5 tp10 -64.13 -33.0 74.77 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.604 1.562 . . . . 0.0 113.111 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -82.2 -33.37 29.42 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 121.114 -0.991 . . . . 0.0 111.519 -176.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.93 -48.63 79.35 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.894 1.278 . . . . 0.0 113.854 -177.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.5 p90 -69.73 -21.33 63.47 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 118.658 0.663 . . . . 0.0 112.499 175.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 t -80.46 -30.55 37.49 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.686 1.195 . . . . 0.0 112.428 175.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -74.46 -45.7 44.47 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 125.025 1.33 . . . . 0.0 111.303 176.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 127.65 -7.63 6.96 Favored Glycine 0 CA--C 1.53 1.027 0 C-N-CA 125.119 1.342 . . . . 0.0 114.034 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -66.63 151.53 47.16 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 118.87 1.335 . . . . 0.0 112.362 171.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -96.82 -3.24 42.54 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.819 1.248 . . . . 0.0 113.552 -178.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -168.03 151.16 5.77 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 126.199 1.8 . . . . 0.0 110.301 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.9 t -140.2 179.04 6.86 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.386 1.474 . . . . 0.0 111.104 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -131.37 145.55 51.88 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 125.19 1.396 . . . . 0.0 111.581 -170.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -154.18 150.67 28.35 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.73 1.212 . . . . 0.0 112.107 -174.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.41 141.96 35.05 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.828 1.651 . . . . 0.0 109.786 177.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -118.12 -150.14 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 124.785 1.234 . . . . 0.0 111.499 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.43 -15.31 25.2 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 115.442 1.645 . . . . 0.0 115.442 177.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.63 12.83 0.03 OUTLIER Glycine 0 CA--C 1.536 1.383 0 N-CA-C 116.883 1.513 . . . . 0.0 116.883 178.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -148.67 150.53 33.36 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.908 1.354 . . . . 0.0 112.408 -169.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.64 125.32 35.2 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 124.639 1.176 . . . . 0.0 108.511 169.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -117.21 134.75 54.42 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.659 1.183 . . . . 0.0 111.775 172.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.7 t -91.86 109.92 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 125.982 1.713 . . . . 0.0 108.37 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.483 ' HB2' HE22 ' A' ' 80' ' ' GLN . . . -82.44 98.72 9.04 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.909 1.684 . . . . 0.0 111.147 179.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -86.72 113.35 22.5 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.667 1.187 . . . . 0.0 110.886 177.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.5 mt -72.21 -26.54 62.09 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.3 1.44 . . . . 0.0 112.934 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -69.44 -46.99 65.45 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.913 0.885 . . . . 0.0 112.61 -173.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -101.19 -6.85 23.71 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.397 1.479 . . . . 0.0 112.086 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.1 mmt 58.46 63.18 1.77 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.892 2.077 . . . . 0.0 111.321 -173.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 35.4 m -142.68 153.68 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -177.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.483 HE22 ' HB2' ' A' ' 73' ' ' ALA . 50.7 mm-40 -106.32 140.21 39.61 Favored 'General case' 0 C--N 1.333 -0.121 0 C-N-CA 125.971 1.708 . . . . 0.0 110.849 169.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -152.29 156.27 39.32 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.999 1.32 . . . . 0.0 112.401 169.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -74.83 142.98 44.13 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.536 1.135 . . . . 0.0 110.733 176.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 74.4 mtp85 -53.39 -27.69 25.42 Favored 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -71.42 -24.7 62.09 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -178.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -164.51 128.93 2.61 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.675 1.19 . . . . 0.0 111.927 175.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 52.8 p-80 -80.81 -15.59 56.0 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.436 1.272 . . . . 0.0 114.436 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.41 -64.33 4.22 Favored Glycine 0 N--CA 1.471 0.985 0 C-N-CA 125.893 1.711 . . . . 0.0 112.206 -174.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -66.15 119.22 11.07 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 117.611 0.705 . . . . 0.0 109.175 169.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -151.62 162.87 40.27 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.412 1.485 . . . . 0.0 112.244 -172.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -135.78 127.11 28.39 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.459 1.503 . . . . 0.0 110.762 -174.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.09 146.07 54.82 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.294 1.037 . . . . 0.0 112.895 177.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.4 pt -132.24 170.02 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.635 1.574 . . . . 0.0 111.299 176.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.4 pttt -155.31 165.84 35.39 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.852 1.261 . . . . 0.0 112.585 -179.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.2 mtp-105 -110.44 150.59 28.63 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.385 1.474 . . . . 0.0 110.902 169.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -145.72 167.18 23.77 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.203 2.201 . . . . 0.0 110.429 175.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.8 mm -121.4 135.87 60.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 125.024 1.33 . . . . 0.0 109.997 -178.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.736 HD11 ' HB2' ' A' ' 31' ' ' ALA . 4.9 mp -90.4 140.87 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 C-N-CA 123.978 0.911 . . . . 0.0 110.634 171.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -102.98 -24.59 13.64 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 179.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.6 mm 75.11 129.01 0.03 OUTLIER Pre-proline 0 N--CA 1.486 1.342 0 C-N-CA 128.88 2.872 . . . . 0.0 111.677 177.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -76.01 170.76 19.45 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 123.629 2.886 . . . . 0.0 112.104 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -62.52 -13.34 29.53 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -72.77 -31.1 64.66 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.65 1.18 . . . . 0.0 112.469 170.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -92.1 -45.52 3.83 Favored Glycine 0 N--CA 1.474 1.223 0 C-N-CA 125.474 1.511 . . . . 0.0 112.481 172.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.2 t -84.79 69.05 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 125.105 1.362 . . . . 0.0 108.342 172.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 74.3 p -111.18 -10.89 14.28 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.862 1.43 . . . . 0.0 114.862 -169.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -89.93 153.68 23.23 Favored Glycine 0 CA--C 1.538 1.528 0 C-N-CA 124.31 0.957 . . . . 0.0 113.178 -177.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_endo -70.41 -21.78 29.97 Favored 'Trans proline' 0 CA--C 1.539 0.772 0 C-N-CA 123.189 2.593 . . . . 0.0 112.36 176.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 31.7 p -89.94 -1.91 58.06 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.593 1.557 . . . . 0.0 113.468 175.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.6 m -82.33 -3.44 55.39 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 120.819 -1.176 . . . . 0.0 113.986 -176.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.165 0 C-N-CA 125.43 1.491 . . . . 0.0 112.853 178.804 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo . . . . . 0 N--CA 1.48 0.73 0 N-CA-C 113.413 0.505 . . . . 0.0 113.413 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.0 p -162.11 162.75 28.73 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.183 1.393 . . . . 0.0 111.496 -179.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -65.62 -5.97 9.84 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -176.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.04 -11.7 84.16 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.784 1.183 . . . . 0.0 113.649 170.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.9 m -140.3 -35.09 0.51 Allowed 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 -177.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.3 m 65.97 7.72 4.89 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 126.614 1.966 . . . . 0.0 115.635 171.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.27 166.38 41.22 Favored Glycine 0 CA--C 1.535 1.326 0 C-N-CA 125.417 1.484 . . . . 0.0 113.642 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -136.82 160.63 38.31 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.441 1.496 . . . . 0.0 112.34 -169.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 55.0 tp -155.38 149.73 25.99 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.134 1.774 . . . . 0.0 110.222 -176.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -149.53 168.32 23.84 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.397 1.479 . . . . 0.0 112.124 -176.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -83.15 161.85 56.23 Favored Pre-proline 0 CA--C 1.551 0.994 0 C-N-CA 126.877 2.071 . . . . 0.0 114.081 -173.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -72.86 178.55 6.27 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 124.08 3.187 . . . . 0.0 112.454 179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 12.3 t -157.97 167.78 28.98 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 125.473 1.509 . . . . 0.0 112.311 -172.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mp -114.44 -3.32 13.04 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.683 1.993 . . . . 0.0 111.708 -177.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.1 mt -86.44 -173.54 4.58 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.862 1.265 . . . . 0.0 112.422 -178.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 12.9 m -101.85 157.88 32.84 Favored Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 126.651 1.98 . . . . 0.0 111.812 -178.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -60.62 -25.96 81.9 Favored 'Trans proline' 0 CA--C 1.535 0.529 0 C-N-CA 123.7 2.933 . . . . 0.0 112.981 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -85.27 -11.49 54.64 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.555 1.142 . . . . 0.0 113.907 177.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -86.47 -51.34 6.26 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.69 1.196 . . . . 0.0 110.683 173.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.1 mt -61.54 -50.57 72.12 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 125.003 1.321 . . . . 0.0 110.742 -176.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.9 mptt -63.66 -14.84 55.69 Favored 'General case' 0 CA--C 1.549 0.911 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 175.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -89.83 -50.97 5.73 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.299 1.04 . . . . 0.0 111.764 172.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.6 -43.09 32.76 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.325 1.05 . . . . 0.0 113.321 -174.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.2 t -73.65 -28.54 61.83 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.863 0.865 . . . . 0.0 112.507 -176.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -65.98 -26.54 67.6 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.165 0.986 . . . . 0.0 112.28 171.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.78 -66.1 1.7 Allowed Glycine 0 CA--C 1.529 0.951 0 C-N-CA 125.223 1.392 . . . . 0.0 111.312 170.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -161.86 -25.32 0.05 OUTLIER 'General case' 0 CA--C 1.551 1.002 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.44 -2.35 57.49 Favored Glycine 0 N--CA 1.479 1.507 0 C-N-CA 125.446 1.498 . . . . 0.0 114.472 -179.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -85.57 -176.97 6.29 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.431 1.492 . . . . 0.0 111.666 169.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 20.7 p90 -171.96 151.9 2.84 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.812 1.645 . . . . 0.0 112.745 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.706 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -156.01 151.39 26.84 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.339 1.456 . . . . 0.0 112.396 177.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 62.4 m95 -97.44 146.8 24.86 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.503 1.121 . . . . 0.0 111.318 171.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -136.67 160.83 37.63 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.955 1.702 . . . . 0.0 111.958 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -138.56 149.22 45.08 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.139 1.776 . . . . 0.0 111.315 174.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -79.67 111.86 16.37 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.671 0.669 . . . . 0.0 110.334 171.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -91.16 -152.1 27.63 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 125.249 1.404 . . . . 0.0 111.859 170.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -67.18 -41.97 85.01 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.766 0.826 . . . . 0.0 112.862 -178.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -106.73 -9.4 16.47 Favored 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 115.228 1.566 . . . . 0.0 115.228 -170.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 153.46 -162.38 30.24 Favored Glycine 0 N--CA 1.473 1.111 0 C-N-CA 125.282 1.42 . . . . 0.0 113.079 178.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -67.99 131.82 46.17 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.824 0.85 . . . . 0.0 112.175 173.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 63.4 m95 -132.19 141.2 48.99 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.689 1.595 . . . . 0.0 110.684 177.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -77.79 139.37 39.33 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.166 0.586 . . . . 0.0 110.933 -175.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 -67.89 153.03 44.6 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.983 0.734 . . . . 0.0 112.983 171.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -66.76 152.56 45.28 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.051 0.94 . . . . 0.0 111.34 170.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -69.85 -18.06 63.41 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.749 0.82 . . . . 0.0 113.021 -175.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -82.84 -16.9 45.87 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.916 0.887 . . . . 0.0 112.305 172.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.1 m -100.38 -50.77 3.82 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 125.774 1.63 . . . . 0.0 111.735 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.6 p -61.02 -27.68 68.5 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -28.98 69.97 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 173.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.09 -39.5 72.09 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.937 0.79 . . . . 0.0 109.712 179.013 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.0 mt -70.04 -43.6 70.96 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.982 1.713 . . . . 0.0 110.855 179.144 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -57.32 -45.55 84.11 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 125.587 1.555 . . . . 0.0 111.969 171.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -72.7 -37.43 67.83 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.755 0.822 . . . . 0.0 110.532 -173.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.48 -50.05 71.2 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.396 1.478 . . . . 0.0 114.012 -178.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -69.14 -21.67 63.99 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.939 0.79 . . . . 0.0 111.659 176.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.6 t -79.19 -32.93 44.25 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.663 1.185 . . . . 0.0 112.865 174.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -72.92 -43.08 62.82 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.247 1.419 . . . . 0.0 111.585 175.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.49 -7.18 8.49 Favored Glycine 0 C--N 1.341 0.815 0 C-N-CA 124.952 1.263 . . . . 0.0 114.129 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -65.26 151.28 46.57 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.174 1.487 . . . . 0.0 112.317 173.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 16.6 pttp -98.9 -0.14 42.93 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.035 1.334 . . . . 0.0 113.211 -174.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -170.69 145.37 2.48 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.7 2.0 . . . . 0.0 109.592 176.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 t -135.57 177.1 8.08 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.305 1.042 . . . . 0.0 112.279 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -123.01 147.33 46.77 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.658 1.583 . . . . 0.0 111.549 -172.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.2 ptt? -153.67 148.76 26.8 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 125.147 1.379 . . . . 0.0 111.975 -173.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.67 142.1 35.26 Favored 'General case' 0 C--O 1.233 0.193 0 C-N-CA 125.843 1.657 . . . . 0.0 110.089 179.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.62 -153.05 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.835 1.254 . . . . 0.0 111.987 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.03 -15.99 16.28 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 178.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.4 15.2 0.03 OUTLIER Glycine 0 CA--C 1.535 1.292 0 N-CA-C 116.624 1.41 . . . . 0.0 116.624 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -150.16 152.4 34.62 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 118.712 1.256 . . . . 0.0 112.297 -169.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.35 125.54 36.14 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.827 1.251 . . . . 0.0 108.362 169.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -116.62 135.79 53.51 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.599 1.16 . . . . 0.0 111.283 170.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.9 t -89.71 121.72 40.23 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 C-N-CA 125.847 1.659 . . . . 0.0 106.961 171.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -96.13 118.82 33.48 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.955 1.302 . . . . 0.0 109.451 174.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -90.29 110.88 21.92 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.018 1.727 . . . . 0.0 109.89 -178.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.1 mp -84.51 -6.81 59.4 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.045 1.338 . . . . 0.0 112.371 -176.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -84.09 -53.0 5.84 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.303 0.956 . . . . 0.0 111.576 173.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 32.4 m-80 -95.66 -8.25 35.28 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.039 1.736 . . . . 0.0 112.22 -170.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 6.7 mmt 54.75 58.87 4.46 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 126.438 1.895 . . . . 0.0 111.656 -173.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.5 m -135.58 175.76 10.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 124.792 1.237 . . . . 0.0 111.114 173.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.98 147.23 28.33 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.752 1.221 . . . . 0.0 111.577 173.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 7.0 p90 -158.33 158.36 34.18 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.992 1.717 . . . . 0.0 111.985 -171.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 68.4 ttt-85 -66.76 152.26 45.84 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 120.989 -1.069 . . . . 0.0 110.872 169.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.6 mtp85 -51.81 -31.05 25.79 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 115.908 1.818 . . . . 0.0 115.908 -172.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -98.43 -2.08 39.91 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 125.024 1.33 . . . . 0.0 114.267 178.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -102.98 147.28 27.14 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 127.012 2.125 . . . . 0.0 111.634 -169.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 28.6 p80 -149.06 -33.49 0.21 Allowed 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.339 1.237 . . . . 0.0 114.339 174.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -77.51 -8.24 87.12 Favored Glycine 0 N--CA 1.476 1.334 0 C-N-CA 124.545 1.069 . . . . 0.0 115.006 -178.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.11 17.35 10.8 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.236 1.814 . . . . 0.0 112.716 -177.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 35.8 ptt-85 -54.25 139.85 34.75 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.464 1.506 . . . . 0.0 112.773 177.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 77.1 mtt-85 -105.65 139.33 40.4 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.092 1.757 . . . . 0.0 109.827 178.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.7 mmmm -65.62 146.06 55.28 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 175.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 47.4 pt -125.94 167.21 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.456 1.502 . . . . 0.0 109.876 167.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 50.5 pttt -155.86 170.1 22.89 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.738 1.215 . . . . 0.0 112.313 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 57.7 mtm180 -114.72 138.94 50.11 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.648 1.579 . . . . 0.0 109.099 168.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.92 -177.39 5.19 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 126.304 1.842 . . . . 0.0 111.273 -175.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.5 mm -129.51 137.98 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 125.368 1.467 . . . . 0.0 110.858 -173.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.706 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.1 mp -91.49 140.58 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 124.441 1.096 . . . . 0.0 110.62 170.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -99.26 -23.7 15.1 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -179.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.5 mm 73.58 129.74 0.04 OUTLIER Pre-proline 0 N--CA 1.488 1.436 0 C-N-CA 128.726 2.81 . . . . 0.0 112.46 174.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -77.27 170.12 20.1 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 124.022 3.148 . . . . 0.0 111.904 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -58.51 -23.24 57.61 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 114.123 1.157 . . . . 0.0 114.123 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -57.39 -18.22 16.65 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.582 1.553 . . . . 0.0 113.593 173.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -74.36 -8.7 80.52 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 125.735 1.635 . . . . 0.0 115.63 173.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.1 p -52.86 137.44 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 CA-C-N 118.765 1.283 . . . . 0.0 111.898 176.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.8 m -144.53 160.68 40.73 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.222 1.409 . . . . 0.0 111.928 -172.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -76.28 175.4 52.77 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 124.351 0.977 . . . . 0.0 114.253 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -76.28 -4.72 15.42 Favored 'Trans proline' 0 CA--C 1.54 0.804 0 C-N-CA 124.315 3.343 . . . . 0.0 114.291 -174.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.3 m -65.4 -5.88 8.75 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 -177.094 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 61.8 p -79.91 -9.35 59.67 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.337 1.455 . . . . 0.0 114.064 174.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.171 0 C-N-CA 124.997 1.284 . . . . 0.0 113.339 178.558 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo . . . . . 0 CA--C 1.54 0.824 0 N-CA-C 113.552 0.559 . . . . 0.0 113.552 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.6 m 72.58 157.74 0.19 Allowed 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 127.288 2.235 . . . . 0.0 114.202 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 m -74.63 156.7 36.45 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.58 1.152 . . . . 0.0 113.479 -177.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.76 -5.79 73.31 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 124.974 1.273 . . . . 0.0 115.294 173.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.4 m 69.41 -12.39 0.43 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 127.238 2.215 . . . . 0.0 116.236 169.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t 72.72 -22.74 0.22 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 127.901 2.48 . . . . 0.0 115.406 172.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.94 158.63 47.37 Favored Glycine 0 CA--C 1.532 1.1 0 C-N-CA 125.382 1.468 . . . . 0.0 114.489 -177.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -77.81 152.73 33.35 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.236 1.014 . . . . 0.0 112.901 -175.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.3 mp -85.18 158.67 20.31 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.106 1.363 . . . . 0.0 111.365 177.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -68.08 135.68 52.59 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.443 1.097 . . . . 0.0 111.995 176.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.2 mtmt -100.83 157.22 34.09 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 125.179 1.392 . . . . 0.0 113.41 -177.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -76.18 178.29 7.68 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 124.319 3.346 . . . . 0.0 112.746 -177.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.6 t -157.18 162.07 39.32 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 126.644 1.977 . . . . 0.0 110.254 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mt -95.61 -17.69 21.16 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.87 1.668 . . . . 0.0 111.367 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.0 mt -81.78 -177.83 6.72 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-O 122.929 1.347 . . . . 0.0 113.035 -175.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.0 m -102.6 159.36 29.58 Favored Pre-proline 0 CA--C 1.541 0.627 0 C-N-CA 126.931 2.093 . . . . 0.0 111.972 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -60.55 -25.26 80.32 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 124.129 3.22 . . . . 0.0 113.096 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -85.55 -11.18 54.72 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.517 1.127 . . . . 0.0 114.026 176.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -87.71 -51.66 5.75 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.832 1.253 . . . . 0.0 111.168 174.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.4 mt -60.86 -46.76 89.3 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.787 1.635 . . . . 0.0 110.786 -176.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -63.63 -38.51 91.4 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 172.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.32 -22.88 63.74 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -179.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.62 -27.57 64.82 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.933 0.788 . . . . 0.0 113.118 170.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.6 t -98.88 -55.7 2.64 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.078 0.951 . . . . 0.0 111.543 175.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.2 mmm180 -67.78 -13.89 62.5 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.887 1.675 . . . . 0.0 114.911 -174.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.33 -16.98 69.88 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.362 1.458 . . . . 0.0 114.429 176.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -144.32 -35.81 0.34 Allowed 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 170.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.3 9.89 72.11 Favored Glycine 0 CA--C 1.535 1.309 0 O-C-N 121.186 -0.946 . . . . 0.0 114.763 172.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.8 -176.6 3.42 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.506 1.522 . . . . 0.0 111.748 169.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -170.17 152.34 4.18 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.309 1.444 . . . . 0.0 112.417 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.69 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -153.4 157.37 39.86 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.925 1.69 . . . . 0.0 110.331 176.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -118.0 146.7 43.84 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 124.544 1.138 . . . . 0.0 109.737 172.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 66.1 m-85 -135.91 156.37 48.88 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.745 1.218 . . . . 0.0 111.574 -178.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -136.89 148.25 46.94 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.507 1.523 . . . . 0.0 111.314 175.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -79.19 108.7 12.89 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 122.048 -0.407 . . . . 0.0 110.333 174.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -91.72 -150.4 25.47 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.282 1.42 . . . . 0.0 112.243 173.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.6 ttp85 -63.59 -43.89 95.62 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.946 0.898 . . . . 0.0 112.728 -178.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 54.6 t30 -111.42 -14.92 13.67 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 115.584 1.698 . . . . 0.0 115.584 -169.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 162.17 -160.51 32.63 Favored Glycine 0 N--CA 1.473 1.148 0 C-N-CA 125.039 1.304 . . . . 0.0 113.293 179.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -67.74 130.81 44.16 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.915 0.886 . . . . 0.0 112.359 173.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 73.4 m95 -130.71 141.05 50.38 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.564 1.546 . . . . 0.0 110.113 176.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -82.37 138.69 34.41 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.458 0.703 . . . . 0.0 111.107 -171.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 48.4 m-85 -66.77 153.67 42.73 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.659 0.784 . . . . 0.0 112.583 169.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -64.31 150.41 46.17 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.858 0.863 . . . . 0.0 111.74 172.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -64.98 -24.38 67.5 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 -174.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.2 mmm180 -83.19 -16.47 46.46 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.456 0.702 . . . . 0.0 111.814 175.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 89.2 m -95.93 -51.56 4.41 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.564 1.545 . . . . 0.0 111.667 178.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.2 p -61.13 -30.52 70.43 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.472 -0.768 . . . . 0.0 113.05 -177.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -25.76 68.5 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 174.114 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -76.92 -40.01 48.74 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 118.532 0.605 . . . . 0.0 109.728 178.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.2 mt -65.68 -44.71 85.39 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.474 1.51 . . . . 0.0 110.668 176.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.2 tp10 -62.31 -30.12 70.92 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.198 1.399 . . . . 0.0 112.77 175.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -81.82 -29.71 32.5 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 121.21 -0.931 . . . . 0.0 111.362 179.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.78 -45.74 73.99 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -173.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -70.84 -18.57 62.71 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.661 0.664 . . . . 0.0 111.966 174.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.7 t -83.11 -32.19 26.85 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 124.739 1.216 . . . . 0.0 112.395 175.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -73.23 -42.45 62.57 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.995 1.318 . . . . 0.0 111.754 174.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.35 -7.14 9.15 Favored Glycine 0 C--N 1.343 0.919 0 C-N-CA 124.946 1.26 . . . . 0.0 114.025 179.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -65.87 151.75 46.0 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.094 1.447 . . . . 0.0 112.626 174.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -95.85 -5.21 42.19 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.262 1.425 . . . . 0.0 113.283 -175.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -168.48 143.61 3.47 Favored 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 126.56 1.944 . . . . 0.0 109.71 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 t -132.0 172.1 12.77 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.144 0.977 . . . . 0.0 112.332 176.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -120.19 146.12 46.32 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 126.042 1.737 . . . . 0.0 111.262 -173.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.5 ptt? -152.05 147.83 26.97 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.872 1.269 . . . . 0.0 112.374 -173.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -102.77 142.75 33.38 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.79 1.636 . . . . 0.0 110.169 177.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.87 -151.87 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.075 1.35 . . . . 0.0 111.897 -179.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.23 -17.17 25.64 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 115.516 1.673 . . . . 0.0 115.516 178.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.56 15.7 0.03 OUTLIER Glycine 0 CA--C 1.534 1.241 0 N-CA-C 116.586 1.395 . . . . 0.0 116.586 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -149.9 152.86 35.74 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 118.79 1.295 . . . . 0.0 112.303 -169.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.52 124.5 37.56 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.633 1.173 . . . . 0.0 108.102 169.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -114.74 136.75 52.73 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.854 1.262 . . . . 0.0 111.294 171.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.2 t -90.34 122.25 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 170.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -95.42 109.48 21.66 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 124.53 1.132 . . . . 0.0 108.702 170.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -86.62 121.7 29.51 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 124.701 1.201 . . . . 0.0 109.943 174.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.4 mp -88.76 -13.32 39.8 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.017 1.327 . . . . 0.0 112.581 -173.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -86.32 -40.72 15.19 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.757 1.223 . . . . 0.0 112.355 -176.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 23.7 m-80 -96.62 -11.72 24.89 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.819 1.648 . . . . 0.0 111.318 175.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 54.82 67.47 1.01 Allowed 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.775 2.03 . . . . 0.0 111.361 -172.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.6 m -142.89 165.99 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.935 0.894 . . . . 0.0 112.316 -179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -121.66 149.77 42.72 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.343 1.457 . . . . 0.0 111.245 170.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -164.63 161.03 20.68 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.018 1.727 . . . . 0.0 112.438 175.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -70.61 150.88 45.58 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 121.067 -1.02 . . . . 0.0 110.384 169.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 25.0 mtp-105 -55.33 -24.7 30.36 Favored 'General case' 0 N--CA 1.486 1.341 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 -171.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -98.17 -2.07 40.72 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 126.292 1.837 . . . . 0.0 114.821 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -124.0 156.16 36.95 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.538 1.535 . . . . 0.0 112.718 -168.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -150.62 -30.75 0.19 Allowed 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.032 1.333 . . . . 0.0 113.632 176.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.61 -10.93 83.06 Favored Glycine 0 N--CA 1.475 1.266 0 O-C-N 120.895 -1.128 . . . . 0.0 114.9 -173.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -121.32 15.92 11.37 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.181 1.792 . . . . 0.0 112.234 -178.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 35.3 ptt-85 -51.15 146.16 6.89 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 126.236 1.814 . . . . 0.0 113.296 176.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 83.1 mtt-85 -113.33 140.67 47.83 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.318 1.447 . . . . 0.0 110.516 176.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -65.52 142.22 58.2 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.513 1.125 . . . . 0.0 113.155 177.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.5 pt -124.71 169.1 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.071 1.348 . . . . 0.0 110.614 169.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.9 pttt -155.82 165.73 35.63 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.274 1.43 . . . . 0.0 112.946 174.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.1 mtp-105 -99.98 152.06 20.62 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.005 1.322 . . . . 0.0 109.288 165.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -152.3 178.33 9.63 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.273 1.429 . . . . 0.0 111.37 173.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.0 mm -130.5 139.15 52.03 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 125.331 1.452 . . . . 0.0 110.363 -174.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.69 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.0 mp -92.98 140.97 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 124.079 0.952 . . . . 0.0 110.524 171.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -105.86 -18.94 13.89 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.647 1.351 . . . . 0.0 114.647 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.4 mm 76.52 127.57 0.03 OUTLIER Pre-proline 0 N--CA 1.486 1.357 0 C-N-CA 129.192 2.997 . . . . 0.0 111.843 176.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -77.89 169.62 20.3 Favored 'Trans proline' 0 C--N 1.353 0.773 0 C-N-CA 123.883 3.055 . . . . 0.0 111.778 -179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -58.1 -29.55 65.57 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 176.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -59.36 -21.22 59.52 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.257 1.423 . . . . 0.0 113.72 174.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -83.93 -8.8 83.63 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.597 1.57 . . . . 0.0 114.998 174.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 44.4 t -95.0 127.62 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 125.433 1.493 . . . . 0.0 109.085 178.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 87.8 p -164.48 172.67 13.03 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.989 1.315 . . . . 0.0 112.351 -174.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 98.41 175.22 32.78 Favored Glycine 0 CA--C 1.54 1.648 0 C-N-CA 125.229 1.395 . . . . 0.0 113.849 -178.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -75.14 155.83 42.29 Favored 'Trans proline' 0 CA--C 1.536 0.576 0 C-N-CA 124.133 3.222 . . . . 0.0 112.06 -176.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 58.6 p -161.79 -89.43 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.721 1.208 . . . . 0.0 111.375 178.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 77.2 p -168.85 -26.47 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.838 1.655 . . . . 0.0 114.146 -177.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.22 0 CA-C-O 118.267 -1.296 . . . . 0.0 113.054 178.962 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo . . . . . 0 CA--C 1.541 0.861 0 N-CA-C 113.156 0.406 . . . . 0.0 113.156 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 m -66.05 -16.88 64.31 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 p -86.28 -1.34 57.4 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 126.299 1.84 . . . . 0.0 113.743 172.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.84 161.67 11.14 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 126.404 1.954 . . . . 0.0 113.028 -175.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.3 m -146.38 150.53 35.86 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.636 1.574 . . . . 0.0 110.987 -176.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.7 p -162.83 165.28 25.5 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 124.829 1.252 . . . . 0.0 112.154 -179.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.9 162.6 30.13 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 125.246 1.403 . . . . 0.0 113.06 177.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 53.9 p90 -104.87 162.54 13.24 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.515 1.526 . . . . 0.0 112.815 -177.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.4 tp -157.58 145.85 19.15 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.478 1.911 . . . . 0.0 109.717 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -151.55 168.71 24.06 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.952 1.301 . . . . 0.0 112.037 -176.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.3 mtmt -89.88 161.95 37.04 Favored Pre-proline 0 CA--C 1.55 0.961 0 C-N-CA 126.769 2.027 . . . . 0.0 113.648 -175.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -72.35 177.01 7.84 Favored 'Trans proline' 0 C--N 1.353 0.805 0 C-N-CA 123.964 3.109 . . . . 0.0 112.377 179.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.4 t -155.11 164.66 38.55 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 125.615 1.566 . . . . 0.0 112.174 -173.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mp -109.68 -3.14 17.0 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.464 1.906 . . . . 0.0 111.805 -177.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.3 mt -86.91 -177.25 6.03 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.065 1.346 . . . . 0.0 112.521 -176.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 m -95.74 158.34 34.51 Favored Pre-proline 0 CA--C 1.538 0.494 0 C-N-CA 126.236 1.815 . . . . 0.0 111.711 175.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -57.69 -30.37 88.71 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 123.263 2.642 . . . . 0.0 112.074 174.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -78.37 -12.79 60.03 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.745 1.218 . . . . 0.0 113.474 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -88.19 -50.99 6.02 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 125.145 1.378 . . . . 0.0 110.525 174.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.7 mt -63.04 -49.11 75.88 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.08 1.352 . . . . 0.0 110.684 -177.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -65.65 -11.93 49.02 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 114.139 1.162 . . . . 0.0 114.139 175.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -92.32 -54.24 3.89 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.294 1.037 . . . . 0.0 112.068 171.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -86.34 -43.69 12.68 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.217 1.007 . . . . 0.0 113.64 -172.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.3 t -78.71 -25.42 44.7 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.685 0.794 . . . . 0.0 112.395 -177.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -69.28 -26.28 64.67 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.974 0.91 . . . . 0.0 112.009 169.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -79.52 -65.32 1.79 Allowed Glycine 0 CA--C 1.529 0.91 0 C-N-CA 125.424 1.488 . . . . 0.0 111.507 173.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -159.08 -24.69 0.07 Allowed 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.12 -3.25 60.08 Favored Glycine 0 N--CA 1.475 1.246 0 C-N-CA 125.42 1.486 . . . . 0.0 114.14 -178.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.71 178.42 7.03 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.163 1.385 . . . . 0.0 111.862 169.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -171.39 152.13 3.22 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.807 1.643 . . . . 0.0 112.755 178.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.701 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -154.92 146.29 22.99 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.26 1.424 . . . . 0.0 112.112 179.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.1 m95 -92.05 146.67 23.54 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.443 1.097 . . . . 0.0 112.043 173.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -138.22 157.45 46.25 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 125.737 1.615 . . . . 0.0 112.258 178.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 42.7 p90 -138.78 149.49 45.05 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.014 1.725 . . . . 0.0 111.159 174.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -78.87 118.68 21.13 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.461 0.573 . . . . 0.0 110.662 171.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -99.99 -154.6 27.77 Favored Glycine 0 CA--C 1.533 1.179 0 C-N-CA 125.203 1.382 . . . . 0.0 111.334 169.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -64.08 -42.83 96.83 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.206 1.002 . . . . 0.0 113.155 -178.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -106.6 -7.26 17.49 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 -170.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 151.69 -162.16 29.54 Favored Glycine 0 N--CA 1.473 1.121 0 C-N-CA 125.245 1.403 . . . . 0.0 113.165 178.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -70.56 133.36 46.67 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.946 0.899 . . . . 0.0 111.888 173.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 62.8 m95 -132.3 141.44 48.98 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.562 1.545 . . . . 0.0 110.75 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -80.43 140.54 35.94 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.652 0.781 . . . . 0.0 110.859 -174.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -70.21 156.65 38.94 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 173.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -76.23 156.11 33.84 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.975 0.91 . . . . 0.0 110.953 170.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -68.54 -19.59 64.51 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.419 1.087 . . . . 0.0 113.792 -177.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -67.49 -33.52 75.28 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.81 0.844 . . . . 0.0 111.734 170.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.6 m -95.33 -52.0 4.35 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 127.169 2.188 . . . . 0.0 112.454 -171.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.3 p -61.07 -27.97 68.74 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.099 0.863 . . . . 0.0 113.168 -176.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -29.23 68.0 Favored 'General case' 0 C--N 1.345 0.386 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 173.147 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -72.6 -32.95 66.37 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.859 0.754 . . . . 0.0 110.693 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 39.0 mt -81.97 -44.49 16.65 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 125.703 1.601 . . . . 0.0 111.437 -172.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -67.39 -24.5 65.68 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 113.563 0.949 . . . . 0.0 113.563 175.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -83.12 -36.24 24.96 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.459 1.104 . . . . 0.0 111.089 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.39 82.03 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.841 1.257 . . . . 0.0 113.993 -176.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 7.2 p90 -68.88 -21.49 64.24 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.957 0.799 . . . . 0.0 112.416 175.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.2 t -80.44 -29.76 37.58 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.617 1.167 . . . . 0.0 112.538 175.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.7 mtpp -76.83 -41.9 42.43 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.925 1.29 . . . . 0.0 111.96 175.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 122.92 -7.47 9.37 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 125.097 1.332 . . . . 0.0 114.064 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -65.68 151.29 46.88 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.947 1.373 . . . . 0.0 112.322 172.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.6 pttp -99.11 0.26 43.19 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.953 1.301 . . . . 0.0 113.483 -177.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -171.39 153.42 3.56 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 126.686 1.995 . . . . 0.0 109.915 177.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.5 t -147.03 172.4 13.79 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.548 1.539 . . . . 0.0 111.271 -172.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -121.31 148.34 44.46 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.21 1.404 . . . . 0.0 111.821 -171.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.5 ptt? -153.95 147.45 25.05 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 125.184 1.394 . . . . 0.0 112.02 -174.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.31 142.56 33.99 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.811 1.644 . . . . 0.0 109.929 176.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -121.67 -153.25 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 C-N-CA 124.688 1.195 . . . . 0.0 111.87 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.87 -15.81 14.39 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 115.577 1.695 . . . . 0.0 115.577 177.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.85 16.36 0.03 OUTLIER Glycine 0 CA--C 1.534 1.232 0 N-CA-C 116.922 1.529 . . . . 0.0 116.922 178.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -149.77 152.52 35.37 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.746 1.273 . . . . 0.0 111.991 -169.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.96 124.86 38.24 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 169.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -117.8 139.17 51.45 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.621 1.168 . . . . 0.0 111.585 172.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.2 t -94.02 119.44 41.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 126.467 1.907 . . . . 0.0 107.075 173.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.73 126.08 39.81 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.103 1.361 . . . . 0.0 109.772 174.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -108.53 111.75 23.76 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.338 1.855 . . . . 0.0 110.234 -169.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 31.6 mt -78.19 -17.49 56.71 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.8 1.24 . . . . 0.0 113.222 -179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -71.97 -51.68 20.79 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.969 0.908 . . . . 0.0 111.867 -178.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.7 m-80 -102.6 -10.16 19.51 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.45 1.9 . . . . 0.0 112.023 -175.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER 57.01 64.89 1.52 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 126.828 2.051 . . . . 0.0 111.479 -174.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 19.0 m -143.43 176.1 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 C-N-CA 126.418 1.887 . . . . 0.0 110.622 179.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.463 ' NE2' HN61 ' A' ' 201' ' ' ATP . 3.1 pp0? -149.34 147.49 28.39 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.295 1.038 . . . . 0.0 112.104 173.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.0 p90 -158.33 165.16 35.43 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.322 1.849 . . . . 0.0 112.976 -169.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 44.2 mtp180 -71.57 148.13 46.95 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 120.757 -1.214 . . . . 0.0 111.857 170.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -50.63 -33.84 23.91 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.528 1.131 . . . . 0.0 113.627 174.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -88.64 -12.06 43.62 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -172.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -159.4 111.69 2.14 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 122.437 1.113 . . . . 0.0 112.067 -173.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 54.6 p-80 -84.66 -18.02 36.7 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.817 1.247 . . . . 0.0 113.517 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -71.21 -12.75 72.65 Favored Glycine 0 CA--C 1.534 1.262 0 C-N-CA 125.203 1.382 . . . . 0.0 114.476 -178.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -94.6 9.59 38.08 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.646 1.578 . . . . 0.0 113.517 174.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 39.8 ptt180 -56.49 142.82 37.49 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -173.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -123.13 145.59 48.46 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 126.466 1.906 . . . . 0.0 109.97 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -65.04 146.2 55.33 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.729 1.212 . . . . 0.0 114.076 -178.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 14.3 pt -129.12 163.83 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 C-N-CA 125.162 1.385 . . . . 0.0 110.526 168.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 48.2 pttt -155.46 171.61 19.62 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.234 1.414 . . . . 0.0 112.269 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 58.2 mtm180 -115.51 142.29 46.92 Favored 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 125.05 1.34 . . . . 0.0 109.05 167.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -138.47 -179.14 5.63 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.225 1.81 . . . . 0.0 111.019 -179.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.7 mm -128.26 137.36 57.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.857 1.263 . . . . 0.0 110.851 -172.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.701 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.0 mp -90.78 140.01 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 124.346 1.058 . . . . 0.0 110.465 170.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -101.93 -22.81 14.24 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 23.0 mm 73.51 127.32 0.03 OUTLIER Pre-proline 0 N--CA 1.487 1.38 0 C-N-CA 128.8 2.84 . . . . 0.0 112.127 177.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -78.37 164.59 26.34 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 123.911 3.074 . . . . 0.0 111.768 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -60.49 -29.44 69.08 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 174.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -58.6 -21.35 53.09 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 125.709 1.604 . . . . 0.0 113.574 173.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -84.17 -8.79 83.25 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.449 1.499 . . . . 0.0 115.191 175.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 48.8 t -85.54 104.64 13.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 CA-C-N 118.515 1.157 . . . . 0.0 109.105 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 62.0 m -155.36 154.03 31.38 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.097 1.759 . . . . 0.0 110.946 -173.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -75.54 153.12 43.93 Favored Glycine 0 CA--C 1.542 1.766 0 CA-C-O 119.048 -0.862 . . . . 0.0 112.76 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -75.94 159.12 38.2 Favored 'Trans proline' 0 CA--C 1.536 0.613 0 C-N-CA 123.843 3.029 . . . . 0.0 111.798 -178.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 54.4 p -83.68 -2.75 56.86 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.751 1.22 . . . . 0.0 114.163 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 9.0 t -163.99 164.94 22.99 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 126.149 1.78 . . . . 0.0 111.283 -177.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.208 0 C-N-CA 125.187 1.375 . . . . 0.0 112.885 -178.307 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ATP . . . . . 0.463 HN61 ' NE2' ' A' ' 80' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_exo . . . . . 0 CA--C 1.54 0.783 0 N-CA-C 113.409 0.504 . . . . 0.0 113.409 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -81.25 -16.68 51.91 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 -176.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.1 m 65.84 3.25 2.47 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 126.919 2.088 . . . . 0.0 115.327 174.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.13 -159.88 25.01 Favored Glycine 0 CA--C 1.53 0.978 0 C-N-CA 126.166 1.841 . . . . 0.0 112.815 -177.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.4 m -143.7 152.29 41.13 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.094 1.358 . . . . 0.0 111.292 -175.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.5 p -83.07 0.6 44.22 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 114.578 1.325 . . . . 0.0 114.578 -177.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.03 171.28 55.05 Favored Glycine 0 CA--C 1.535 1.297 0 C-N-CA 124.996 1.284 . . . . 0.0 113.903 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -74.39 176.13 7.04 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.199 1.4 . . . . 0.0 112.586 175.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.7 tp -146.39 139.84 25.9 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.606 1.563 . . . . 0.0 109.986 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -149.43 167.51 26.0 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 126.574 1.95 . . . . 0.0 110.904 -178.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.9 mttm -122.41 158.46 56.0 Favored Pre-proline 0 CA--C 1.55 0.943 0 C-N-CA 125.762 1.625 . . . . 0.0 112.775 -177.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -70.36 172.91 12.32 Favored 'Trans proline' 0 C--N 1.352 0.75 0 C-N-CA 124.195 3.264 . . . . 0.0 113.095 -172.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.409 HG21 HD11 ' A' ' 20' ' ' LEU . 15.1 t -168.79 174.47 6.53 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 126.972 2.109 . . . . 0.0 110.185 -168.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mt -102.76 -17.71 15.47 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.281 1.832 . . . . 0.0 111.604 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.7 mt -76.49 178.62 6.47 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 122.962 1.363 . . . . 0.0 113.085 -178.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.0 m -88.06 155.68 52.25 Favored Pre-proline 0 CA--C 1.539 0.523 0 C-N-CA 126.499 1.92 . . . . 0.0 111.78 175.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -61.94 -21.25 71.95 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 123.914 3.076 . . . . 0.0 113.039 177.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -80.97 -32.77 34.26 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.315 1.046 . . . . 0.0 112.241 177.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -68.18 -48.8 64.29 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.918 1.287 . . . . 0.0 111.626 -176.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.409 HD11 HG21 ' A' ' 13' ' ' THR . 3.0 mt -65.17 -46.53 80.47 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 125.811 1.644 . . . . 0.0 110.113 -177.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -61.34 -40.42 94.18 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.541 0.736 . . . . 0.0 112.193 173.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.32 -42.16 84.08 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.604 1.093 . . . . 0.0 112.515 176.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.21 -38.71 90.21 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.289 1.036 . . . . 0.0 112.602 176.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.0 t -76.42 -55.5 5.48 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.577 0.751 . . . . 0.0 112.268 178.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -66.13 -26.52 67.48 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.091 1.356 . . . . 0.0 113.485 -175.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -66.65 -15.89 64.83 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 124.937 1.256 . . . . 0.0 114.315 176.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -122.11 -65.09 1.15 Allowed 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.167 1.387 . . . . 0.0 112.264 173.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.93 -1.15 70.41 Favored Glycine 0 N--CA 1.476 1.321 0 C-N-CA 124.541 1.067 . . . . 0.0 112.971 -173.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -69.1 176.14 3.39 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 126.657 1.983 . . . . 0.0 112.098 169.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.5 p90 -170.58 151.74 3.68 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.624 1.569 . . . . 0.0 112.934 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.661 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -150.77 159.32 44.61 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.548 1.539 . . . . 0.0 110.998 176.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 45.3 m95 -123.51 146.75 47.84 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 124.948 1.299 . . . . 0.0 109.865 170.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -134.87 158.3 44.6 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.808 1.243 . . . . 0.0 111.651 -178.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.4 p90 -139.48 153.07 47.45 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.117 1.767 . . . . 0.0 110.646 176.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -78.92 108.05 12.1 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 118.418 0.554 . . . . 0.0 110.618 171.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -92.51 -154.36 30.94 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 125.937 1.732 . . . . 0.0 112.779 175.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -55.37 -48.05 74.88 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 125.002 1.321 . . . . 0.0 112.918 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -114.54 -11.48 12.41 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -169.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 161.02 -160.93 32.49 Favored Glycine 0 N--CA 1.473 1.13 0 C-N-CA 124.922 1.249 . . . . 0.0 113.238 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 98.2 m95 -66.63 127.52 32.72 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.897 0.879 . . . . 0.0 112.205 174.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -130.35 143.53 50.83 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 124.989 1.316 . . . . 0.0 110.864 175.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -80.79 138.87 36.27 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.381 0.672 . . . . 0.0 110.846 -175.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -67.0 156.78 35.1 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.43 0.692 . . . . 0.0 112.71 170.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -71.59 156.07 39.82 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.281 0.633 . . . . 0.0 110.967 171.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -67.72 -20.06 65.21 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.326 1.05 . . . . 0.0 113.685 -176.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.2 mpt_? -67.05 -35.33 79.63 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.808 0.843 . . . . 0.0 111.602 170.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.9 m -94.81 -49.59 5.52 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 126.795 2.038 . . . . 0.0 112.514 -170.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 94.3 p -63.3 -27.41 69.31 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 -175.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -29.63 70.79 Favored 'General case' 0 CA--C 1.531 0.221 0 O-C-N 121.927 -0.483 . . . . 0.0 112.256 173.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.35 -37.23 74.6 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.204 0.911 . . . . 0.0 110.042 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.8 mt -71.43 -45.29 63.07 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.821 1.648 . . . . 0.0 110.834 178.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.0 tm-20 -60.84 -39.4 88.94 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.58 1.152 . . . . 0.0 112.532 175.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 42.6 t0 -73.91 -36.91 64.77 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 121.672 0.749 . . . . 0.0 110.368 -174.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.09 -50.28 72.55 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.675 1.59 . . . . 0.0 114.124 -176.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -70.2 -18.15 63.17 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.965 0.802 . . . . 0.0 111.968 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.3 t -84.1 -30.21 26.15 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.035 1.334 . . . . 0.0 112.716 175.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -74.57 -43.35 56.12 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.115 1.366 . . . . 0.0 111.539 175.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.49 -7.28 8.48 Favored Glycine 0 C--N 1.34 0.793 0 C-N-CA 124.757 1.17 . . . . 0.0 114.274 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -65.26 150.9 47.44 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.113 1.457 . . . . 0.0 112.172 173.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.1 ptpt -98.46 -1.76 40.59 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 125.084 1.354 . . . . 0.0 113.067 -174.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -169.55 146.89 3.45 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.498 1.919 . . . . 0.0 109.974 178.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.8 t -137.57 179.24 6.53 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.74 1.216 . . . . 0.0 112.091 178.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -124.19 149.7 46.06 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.725 1.61 . . . . 0.0 112.187 -172.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 11.3 ptt? -157.17 148.62 22.13 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 125.16 1.384 . . . . 0.0 112.434 -174.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.09 144.54 31.16 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.086 1.754 . . . . 0.0 110.147 177.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.84 -151.71 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 C-N-CA 124.851 1.26 . . . . 0.0 112.196 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.58 -17.48 22.17 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 115.435 1.643 . . . . 0.0 115.435 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.95 17.18 0.03 OUTLIER Glycine 0 CA--C 1.532 1.121 0 N-CA-C 116.633 1.413 . . . . 0.0 116.633 179.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -149.69 150.98 32.93 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.779 1.289 . . . . 0.0 112.221 -170.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.15 124.57 35.47 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 107.619 -1.252 . . . . 0.0 107.619 168.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -114.3 134.38 54.99 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 124.52 1.128 . . . . 0.0 111.617 171.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 32.3 t -87.1 116.71 29.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 169.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.85 112.31 23.1 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.699 1.2 . . . . 0.0 108.913 173.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -87.65 111.57 21.42 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.184 1.394 . . . . 0.0 110.152 177.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.8 mp -81.41 -18.74 44.37 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.521 1.128 . . . . 0.0 111.74 -178.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -62.71 -52.73 62.11 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.872 0.869 . . . . 0.0 112.435 176.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -103.68 -5.12 22.9 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.355 1.462 . . . . 0.0 112.313 -174.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.4 mmt 56.34 59.09 3.82 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 126.151 1.78 . . . . 0.0 111.006 -171.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.43 176.09 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 C-N-CA 124.708 1.203 . . . . 0.0 110.431 174.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.51 158.78 43.39 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 124.626 1.17 . . . . 0.0 110.737 171.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -166.67 165.06 16.75 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.953 1.701 . . . . 0.0 112.514 -175.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 -71.57 153.29 42.25 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.062 -1.024 . . . . 0.0 111.793 173.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 62.3 mtp85 -58.33 -23.11 55.62 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.402 0.89 . . . . 0.0 113.402 171.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -67.16 -34.6 77.89 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.745 1.218 . . . . 0.0 113.687 -179.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -168.1 141.65 3.27 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.096 1.358 . . . . 0.0 112.167 -179.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -76.5 -11.44 59.88 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.742 1.217 . . . . 0.0 113.658 169.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -54.59 -63.21 5.42 Favored Glycine 0 N--CA 1.471 1.022 0 C-N-CA 126.928 2.204 . . . . 0.0 112.369 -176.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.59 95.33 4.53 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 118.019 0.91 . . . . 0.0 108.89 168.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.9 ptt-85 -118.56 156.6 28.87 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.406 1.482 . . . . 0.0 112.067 172.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -134.88 141.21 46.28 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 126.243 1.817 . . . . 0.0 109.355 -176.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.0 mmmt -67.94 141.43 56.33 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.7 pt -124.87 170.52 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.539 1.536 . . . . 0.0 109.991 169.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 43.6 pttt -155.23 165.58 36.21 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.707 1.203 . . . . 0.0 112.932 173.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.0 mtp180 -102.97 149.09 24.88 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.715 2.006 . . . . 0.0 109.547 168.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -152.83 177.95 10.18 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.657 1.183 . . . . 0.0 112.237 176.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.3 mm -131.25 137.84 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 126.182 1.793 . . . . 0.0 109.382 -178.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.661 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.4 mp -87.05 143.65 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 123.722 0.809 . . . . 0.0 110.519 174.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -95.24 -29.32 14.57 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -178.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 23.5 mm 73.64 127.33 0.03 OUTLIER Pre-proline 0 N--CA 1.484 1.257 0 C-N-CA 128.871 2.868 . . . . 0.0 112.109 178.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -77.43 163.4 29.85 Favored 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.832 3.021 . . . . 0.0 111.635 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 65.1 pttt -59.51 -32.88 70.69 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 176.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -59.62 -22.63 62.11 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.531 1.532 . . . . 0.0 113.478 174.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -85.84 -8.74 79.09 Favored Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.638 1.589 . . . . 0.0 115.205 176.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 55.3 t -85.98 111.71 21.51 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 118.532 1.166 . . . . 0.0 109.41 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 6.3 m -166.22 153.0 9.39 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 127.19 2.196 . . . . 0.0 110.416 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -78.79 152.88 37.6 Favored Glycine 0 CA--C 1.542 1.761 0 CA-C-O 119.02 -0.878 . . . . 0.0 112.76 176.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -75.98 156.4 38.67 Favored 'Trans proline' 0 CA--C 1.535 0.56 0 C-N-CA 123.853 3.035 . . . . 0.0 111.571 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.7 m -67.37 -9.53 42.29 Favored 'General case' 0 N--CA 1.478 0.936 0 N-CA-C 113.924 1.083 . . . . 0.0 113.924 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 19.2 m -77.93 -8.17 57.76 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.396 1.478 . . . . 0.0 114.146 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.125 0 CA-C-O 118.222 -1.321 . . . . 0.0 113.337 179.811 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo . . . . . 0 CA--C 1.539 0.766 0 N-CA-C 113.465 0.525 . . . . 0.0 113.465 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -163.21 169.01 19.89 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 125.517 1.527 . . . . 0.0 111.061 179.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -167.5 152.67 7.16 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 126.926 2.09 . . . . 0.0 111.124 -178.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.84 173.68 50.93 Favored Glycine 0 CA--C 1.533 1.185 0 C-N-CA 124.481 1.039 . . . . 0.0 113.245 175.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.8 m -86.87 115.68 24.45 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.72 0.808 . . . . 0.0 110.815 176.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.2 p -91.94 -4.4 54.7 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 -173.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.49 168.99 27.8 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 125.524 1.535 . . . . 0.0 113.647 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -76.2 159.16 30.92 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.695 1.198 . . . . 0.0 112.513 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.6 tp -155.98 155.71 33.23 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.848 1.659 . . . . 0.0 110.57 -176.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -134.0 156.61 47.88 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 125.955 1.702 . . . . 0.0 111.629 -178.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -131.88 159.48 71.84 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 126.543 1.937 . . . . 0.0 111.726 -179.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -70.73 171.0 16.37 Favored 'Trans proline' 0 C--N 1.351 0.676 0 C-N-CA 123.892 3.061 . . . . 0.0 112.724 -173.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.3 t -169.02 169.76 9.33 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 126.978 2.111 . . . . 0.0 110.447 -169.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 mt -99.04 -16.13 18.79 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.327 1.851 . . . . 0.0 111.566 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 20.5 mt -82.31 179.35 7.83 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 122.981 1.372 . . . . 0.0 113.359 -175.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.8 m -89.34 155.8 48.72 Favored Pre-proline 0 CA--C 1.541 0.603 0 C-N-CA 126.817 2.047 . . . . 0.0 112.229 176.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 62.9 Cg_endo -63.62 -16.55 55.34 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 124.21 3.273 . . . . 0.0 113.483 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -87.67 -30.35 20.47 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.503 1.121 . . . . 0.0 112.362 176.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -68.5 -48.65 63.85 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.866 1.267 . . . . 0.0 111.609 -176.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mt -64.45 -45.56 86.93 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.833 1.653 . . . . 0.0 109.895 -177.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.89 -42.16 98.74 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.397 1.079 . . . . 0.0 111.849 173.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.45 -40.9 85.4 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.108 0.867 . . . . 0.0 112.492 177.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.1 -42.6 99.63 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.278 1.031 . . . . 0.0 112.201 175.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.3 t -70.45 -43.03 70.69 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 123.591 0.757 . . . . 0.0 112.6 178.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -73.06 -26.36 61.26 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.509 1.123 . . . . 0.0 113.399 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -64.97 -28.47 73.55 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 124.936 1.255 . . . . 0.0 114.931 -172.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -157.07 -36.43 0.08 Allowed 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 114.006 1.113 . . . . 0.0 114.006 171.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.28 5.9 65.12 Favored Glycine 0 N--CA 1.478 1.448 0 C-N-CA 124.381 0.991 . . . . 0.0 114.886 176.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.25 -177.13 5.53 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.306 1.442 . . . . 0.0 111.55 169.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.0 p90 -171.18 152.03 3.32 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.634 1.574 . . . . 0.0 112.172 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.693 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -152.94 155.17 36.48 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.503 1.521 . . . . 0.0 110.872 176.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 27.5 m95 -117.97 145.97 44.33 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.806 1.243 . . . . 0.0 109.493 173.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 64.9 m-85 -134.22 154.89 50.99 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.208 1.403 . . . . 0.0 111.398 -175.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -136.34 150.13 48.7 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.876 1.671 . . . . 0.0 110.968 177.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -74.6 117.45 16.45 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.574 0.624 . . . . 0.0 110.937 172.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -95.13 -159.56 33.35 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 125.501 1.524 . . . . 0.0 112.155 169.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -67.17 -28.85 68.45 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.207 1.003 . . . . 0.0 113.573 -178.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -134.45 -3.13 2.7 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 117.533 2.419 . . . . 0.0 117.533 -168.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 171.72 -171.15 43.93 Favored Glycine 0 N--CA 1.471 1.029 0 C-N-CA 125.43 1.49 . . . . 0.0 114.062 173.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 87.1 m95 -76.62 130.31 37.64 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.882 0.873 . . . . 0.0 110.923 169.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 69.7 m95 -130.12 145.23 51.68 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.99 1.316 . . . . 0.0 111.016 -177.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -84.23 139.94 32.02 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.281 0.632 . . . . 0.0 112.178 -169.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -68.8 156.48 38.29 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.97 0.908 . . . . 0.0 112.305 168.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -62.98 154.42 30.62 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.603 1.161 . . . . 0.0 112.447 175.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -66.86 -20.98 66.02 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.758 1.223 . . . . 0.0 113.183 -176.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 -94.27 -12.09 28.83 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.303 1.041 . . . . 0.0 112.223 176.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.0 m -97.0 -54.02 3.32 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.284 1.433 . . . . 0.0 111.255 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 72.4 p -59.03 -30.6 68.14 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 -178.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.92 -24.58 67.79 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.958 0.903 . . . . 0.0 113.077 174.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -80.11 -39.08 30.31 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 118.876 0.762 . . . . 0.0 110.253 177.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.0 mt -64.6 -43.69 93.01 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.05 1.34 . . . . 0.0 110.884 175.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -61.45 -28.23 69.13 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.061 1.344 . . . . 0.0 112.911 174.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -83.77 -30.39 26.67 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 121.032 -1.043 . . . . 0.0 112.313 -178.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.63 -47.91 79.44 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.701 1.2 . . . . 0.0 113.973 -175.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -68.32 -24.6 64.85 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.82 0.736 . . . . 0.0 111.499 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.8 t -78.37 -29.29 47.34 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.957 1.303 . . . . 0.0 112.579 177.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -73.52 -42.44 61.75 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.716 1.206 . . . . 0.0 111.264 169.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.48 -7.73 7.91 Favored Glycine 0 C--N 1.341 0.843 0 C-N-CA 125.502 1.525 . . . . 0.0 114.192 176.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -63.85 155.9 29.11 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 119.242 1.521 . . . . 0.0 112.808 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -101.5 -2.07 31.57 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.169 1.388 . . . . 0.0 113.364 -176.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -169.22 141.17 2.5 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.886 2.074 . . . . 0.0 109.746 176.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.1 t -130.43 -178.23 4.68 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.914 1.285 . . . . 0.0 111.847 178.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -129.23 145.85 51.26 Favored 'General case' 0 C--O 1.236 0.342 0 C-N-CA 125.66 1.584 . . . . 0.0 111.594 -171.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.4 ptt? -151.51 148.33 27.91 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.093 1.357 . . . . 0.0 112.184 -174.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.55 142.41 34.34 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.806 1.642 . . . . 0.0 110.035 178.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.4 -152.96 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 125.034 1.333 . . . . 0.0 111.862 -179.595 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.46 -15.82 19.88 Favored 'General case' 0 CA--C 1.549 0.925 0 N-CA-C 115.648 1.722 . . . . 0.0 115.648 178.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.7 15.28 0.03 OUTLIER Glycine 0 CA--C 1.534 1.249 0 N-CA-C 116.694 1.438 . . . . 0.0 116.694 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -150.03 153.28 36.23 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.781 1.291 . . . . 0.0 112.007 -169.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.58 124.5 37.62 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.521 1.128 . . . . 0.0 108.076 169.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -113.99 131.79 56.21 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.644 1.178 . . . . 0.0 111.341 170.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.0 t -85.74 116.17 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 125.832 1.653 . . . . 0.0 106.99 173.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -90.3 109.77 20.86 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.79 1.236 . . . . 0.0 109.038 174.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -86.86 114.58 23.63 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 125.308 1.443 . . . . 0.0 110.357 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.4 mp -83.44 -18.32 39.06 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 124.917 1.287 . . . . 0.0 112.095 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -65.96 -53.12 43.09 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.023 0.829 . . . . 0.0 112.021 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -101.79 -8.84 21.33 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.828 1.651 . . . . 0.0 111.991 -174.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 56.71 65.32 1.43 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.475 1.91 . . . . 0.0 110.725 -173.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 31.3 m -138.55 172.59 13.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.125 0 C-N-CA 125.829 1.652 . . . . 0.0 110.494 175.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.1 141.26 29.92 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.798 0.839 . . . . 0.0 111.92 175.351 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -151.85 160.26 43.6 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.426 1.49 . . . . 0.0 113.868 -174.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -71.44 143.02 50.23 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.9 0.88 . . . . 0.0 111.236 173.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 72.9 mtp85 -52.12 -26.98 12.56 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 114.76 1.393 . . . . 0.0 114.76 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -66.11 -30.88 71.46 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -177.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -166.27 124.12 1.43 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.141 0.976 . . . . 0.0 112.259 -172.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -68.78 -15.77 63.6 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -73.52 -22.33 78.62 Favored Glycine 0 CA--C 1.533 1.163 0 C-N-CA 125.504 1.526 . . . . 0.0 113.953 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 25.3 mmt180 -87.73 62.78 7.17 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.016 1.326 . . . . 0.0 110.324 174.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.3 ptt-85 -112.94 149.62 32.96 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.954 1.302 . . . . 0.0 114.456 -171.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -130.1 143.14 50.62 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 127.016 2.126 . . . . 0.0 109.869 178.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 9.5 mmmt -65.95 142.54 57.83 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.285 1.034 . . . . 0.0 113.203 179.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 32.3 pt -130.12 166.87 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 C-N-CA 125.089 1.356 . . . . 0.0 111.479 170.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -156.45 165.34 36.59 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.485 1.514 . . . . 0.0 112.613 177.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.6 mtp-105 -102.5 152.62 20.93 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.458 1.503 . . . . 0.0 111.267 169.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -152.2 -179.24 7.35 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.431 1.492 . . . . 0.0 111.876 171.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.0 mm -128.23 140.5 49.01 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 C-N-CA 126.417 1.887 . . . . 0.0 110.151 -177.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.693 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.1 mp -92.11 140.6 15.89 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 C-N-CA 123.89 0.876 . . . . 0.0 110.393 171.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -106.8 -17.54 14.18 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.0 mm 76.44 127.18 0.03 OUTLIER Pre-proline 0 N--CA 1.485 1.324 0 C-N-CA 129.24 3.016 . . . . 0.0 111.886 176.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -78.09 169.01 21.07 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 123.958 3.106 . . . . 0.0 111.733 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.2 ptmt -58.83 -34.52 71.64 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -60.86 -24.71 66.12 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.986 1.314 . . . . 0.0 113.233 173.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -86.25 -8.03 78.9 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 126.298 1.904 . . . . 0.0 115.0 174.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.7 t -131.31 65.92 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 126.332 1.853 . . . . 0.0 108.452 -178.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 15.6 t -165.83 157.21 13.91 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.282 1.833 . . . . 0.0 110.679 -175.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.52 65.19 2.49 Favored Glycine 0 CA--C 1.539 1.56 0 CA-C-O 118.406 -1.219 . . . . 0.0 113.03 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -71.49 158.61 53.52 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.884 3.056 . . . . 0.0 112.119 -176.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.1 p -73.21 -2.91 23.67 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.718 1.207 . . . . 0.0 114.213 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 52.3 p -82.22 -6.78 59.45 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.601 1.561 . . . . 0.0 114.089 175.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.25 0 CA-C-O 118.233 -1.315 . . . . 0.0 113.297 178.196 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo . . . . . 0 N--CA 1.48 0.723 0 N-CA-C 113.34 0.477 . . . . 0.0 113.34 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 p -82.27 -10.23 59.19 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.3 p -162.11 -46.99 0.04 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.326 1.45 . . . . 0.0 112.571 177.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.46 10.64 66.93 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 124.73 1.157 . . . . 0.0 114.488 177.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.0 p -167.93 168.78 11.88 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.75 1.62 . . . . 0.0 111.723 -169.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.9 m -163.08 160.63 24.64 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 126.207 1.803 . . . . 0.0 111.02 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.4 -172.39 36.14 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 124.729 1.157 . . . . 0.0 113.594 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -74.96 153.92 38.34 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 124.42 1.088 . . . . 0.0 112.747 -176.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.3 tp -157.34 143.58 17.84 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.191 1.796 . . . . 0.0 109.986 -178.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -143.61 141.89 30.81 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.62 1.568 . . . . 0.0 111.337 -176.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -76.12 158.13 82.41 Favored Pre-proline 0 CA--C 1.55 0.954 0 C-N-CA 124.99 1.316 . . . . 0.0 113.419 177.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -74.28 172.14 16.64 Favored 'Trans proline' 0 C--N 1.351 0.702 0 C-N-CA 124.007 3.138 . . . . 0.0 112.561 -177.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.3 t -170.01 168.81 8.38 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 127.256 2.222 . . . . 0.0 110.248 -172.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mt -98.01 -18.31 18.66 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 126.238 1.815 . . . . 0.0 111.376 178.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.4 mt -83.51 -176.81 6.49 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 122.801 1.286 . . . . 0.0 113.118 -175.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.1 m -101.29 158.56 31.55 Favored Pre-proline 0 CA--C 1.543 0.707 0 C-N-CA 127.002 2.121 . . . . 0.0 112.094 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -61.48 -23.37 76.55 Favored 'Trans proline' 0 CA--C 1.536 0.579 0 C-N-CA 124.242 3.294 . . . . 0.0 113.26 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -87.73 -11.57 47.81 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.531 1.132 . . . . 0.0 113.902 176.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -86.57 -51.37 6.2 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 124.674 1.19 . . . . 0.0 111.114 175.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.25 -46.97 88.19 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.979 1.712 . . . . 0.0 110.666 -176.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -62.87 -38.92 92.78 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.021 -0.536 . . . . 0.0 112.101 173.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.19 -35.26 73.83 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.099 0.863 . . . . 0.0 113.063 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.75 -29.24 69.27 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.151 0.98 . . . . 0.0 113.065 174.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 31.7 t -89.25 -60.32 1.98 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.985 0.914 . . . . 0.0 111.825 177.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -72.77 -17.68 61.56 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.536 1.534 . . . . 0.0 114.583 -172.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -70.54 -19.86 76.67 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 124.502 1.048 . . . . 0.0 113.141 172.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -107.39 -64.41 1.2 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.136 1.375 . . . . 0.0 111.517 169.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.52 0.73 75.6 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 124.427 1.013 . . . . 0.0 113.071 -174.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -68.62 175.54 3.44 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.881 2.072 . . . . 0.0 112.201 169.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -172.16 150.67 2.49 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.719 1.607 . . . . 0.0 112.835 178.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.714 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -154.35 150.8 28.33 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.261 1.424 . . . . 0.0 112.423 177.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 67.4 m95 -96.54 145.09 26.02 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.044 1.338 . . . . 0.0 111.252 172.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -138.25 157.19 46.76 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 125.215 1.406 . . . . 0.0 112.394 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -138.9 148.87 44.17 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.758 1.623 . . . . 0.0 111.561 174.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -77.68 115.82 17.74 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 118.26 0.482 . . . . 0.0 109.97 171.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -115.32 -139.29 6.79 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 125.348 1.451 . . . . 0.0 112.783 177.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 47.1 ptt85 -54.7 -32.55 59.7 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 116.624 2.083 . . . . 0.0 116.624 -170.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -143.11 -9.12 0.78 Allowed 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -173.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 164.24 -159.6 32.48 Favored Glycine 0 N--CA 1.469 0.876 0 C-N-CA 125.361 1.458 . . . . 0.0 112.388 -176.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -67.97 130.61 43.49 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.941 0.896 . . . . 0.0 112.47 176.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 67.9 m95 -130.2 141.04 50.68 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 125.94 1.696 . . . . 0.0 110.199 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -79.14 141.06 37.59 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.401 0.68 . . . . 0.0 110.982 -174.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -68.17 158.39 33.29 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 172.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -72.72 154.22 40.79 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.679 1.192 . . . . 0.0 112.038 172.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -68.44 -20.66 64.65 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.684 1.194 . . . . 0.0 113.311 -176.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -93.67 -10.83 33.14 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.181 0.993 . . . . 0.0 112.286 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.9 m -100.28 -53.39 3.13 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.276 1.43 . . . . 0.0 111.387 177.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 65.0 p -58.92 -28.55 66.32 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.58 -24.77 67.72 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.98 0.912 . . . . 0.0 113.247 173.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -76.42 -36.74 57.84 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.942 0.792 . . . . 0.0 110.463 176.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 29.1 mt -72.13 -41.14 67.53 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.639 1.576 . . . . 0.0 110.799 178.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -56.66 -36.51 69.62 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.041 1.736 . . . . 0.0 112.48 169.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -80.13 -38.38 31.65 Favored 'General case' 0 N--CA 1.467 0.402 0 O-C-N 121.04 -1.037 . . . . 0.0 111.466 -175.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.41 -50.11 71.1 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.26 1.424 . . . . 0.0 113.971 -175.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -67.33 -24.0 65.68 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 118.266 0.484 . . . . 0.0 111.589 177.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.5 t -78.5 -30.64 47.32 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.708 1.203 . . . . 0.0 112.654 176.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.6 mtpp -73.5 -42.9 61.22 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.659 1.184 . . . . 0.0 111.972 174.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.94 -7.24 8.8 Favored Glycine 0 N--CA 1.468 0.803 0 C-N-CA 124.895 1.236 . . . . 0.0 114.252 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -64.65 153.31 39.86 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 119.059 1.429 . . . . 0.0 112.317 172.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -97.85 -3.45 38.69 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.789 1.236 . . . . 0.0 113.356 -176.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -170.12 153.61 4.67 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 126.332 1.853 . . . . 0.0 110.176 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 t -147.39 176.38 10.06 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.372 1.469 . . . . 0.0 111.411 -175.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -125.42 144.93 50.29 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 125.202 1.401 . . . . 0.0 111.695 -169.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 10.3 ptt? -151.67 147.26 26.52 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 125.046 1.338 . . . . 0.0 112.255 -174.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.84 142.93 33.53 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.819 1.648 . . . . 0.0 110.299 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.58 -152.24 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 124.97 1.308 . . . . 0.0 112.162 -179.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.63 -16.83 17.78 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.59 14.78 0.03 OUTLIER Glycine 0 CA--C 1.534 1.22 0 N-CA-C 116.597 1.399 . . . . 0.0 116.597 178.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -148.61 153.56 38.49 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 118.909 1.354 . . . . 0.0 112.198 -169.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.21 125.02 37.59 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.524 1.129 . . . . 0.0 108.234 169.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -113.9 132.76 55.8 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.839 1.256 . . . . 0.0 111.429 171.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.8 t -89.47 120.79 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 C-N-CA 125.888 1.675 . . . . 0.0 107.206 171.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -101.02 121.21 41.38 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.332 1.453 . . . . 0.0 109.893 177.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -104.64 119.85 39.95 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.844 1.658 . . . . 0.0 111.069 -174.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.2 mt -78.98 -16.22 57.22 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.618 1.567 . . . . 0.0 113.821 -176.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -85.96 -47.53 9.53 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.946 0.898 . . . . 0.0 112.103 -173.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -94.84 -11.84 28.08 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.555 1.542 . . . . 0.0 111.878 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.0 mmt 54.96 64.54 1.77 Allowed 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.55 1.94 . . . . 0.0 111.198 -172.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 33.6 m -140.04 168.36 17.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.83 1.252 . . . . 0.0 111.304 176.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -126.98 152.77 46.76 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 125.599 1.56 . . . . 0.0 110.531 170.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -160.85 161.98 32.05 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 125.304 1.441 . . . . 0.0 113.642 176.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 81.4 mtt85 -70.95 149.37 46.76 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.348 0.659 . . . . 0.0 111.225 169.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 70.7 mtp85 -57.52 -25.23 59.56 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.823 1.416 . . . . 0.0 114.823 -178.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -67.51 -32.02 72.55 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.877 1.066 . . . . 0.0 113.877 -174.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -165.03 126.01 2.01 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.554 1.142 . . . . 0.0 111.563 -175.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -66.94 -15.94 64.02 Favored 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.67 -19.9 79.72 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.361 1.457 . . . . 0.0 114.092 177.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.6 tpt85 -86.25 62.07 7.21 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.11 1.364 . . . . 0.0 109.692 175.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -115.41 156.31 25.81 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 115.634 1.716 . . . . 0.0 115.634 -169.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 80.9 mtt85 -134.38 146.31 49.77 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 127.043 2.137 . . . . 0.0 110.163 172.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -67.56 142.89 56.36 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.684 1.194 . . . . 0.0 114.003 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 12.1 pt -123.68 166.99 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 125.301 1.44 . . . . 0.0 109.843 168.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -154.26 170.54 21.01 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.225 1.41 . . . . 0.0 111.871 175.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -120.04 139.27 52.77 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.277 1.431 . . . . 0.0 109.225 169.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -141.57 -177.98 5.42 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.898 1.679 . . . . 0.0 111.581 -173.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.2 mm -130.84 136.83 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 C-N-CA 125.57 1.548 . . . . 0.0 110.101 -172.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.714 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.3 mp -86.95 143.48 11.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.121 0.968 . . . . 0.0 110.844 174.021 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -96.14 -26.47 15.46 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.5 mm 75.84 127.35 0.03 OUTLIER Pre-proline 0 N--CA 1.486 1.338 0 C-N-CA 129.154 2.981 . . . . 0.0 111.835 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -78.06 169.31 20.62 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 124.007 3.138 . . . . 0.0 112.067 -178.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -62.11 -15.96 49.13 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -74.88 -18.72 60.38 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 125.501 1.521 . . . . 0.0 113.223 173.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -74.07 39.66 1.0 Allowed Glycine 0 CA--C 1.537 1.458 0 C-N-CA 126.937 2.208 . . . . 0.0 115.592 -173.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.7 p -75.6 144.77 11.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.821 0 C-N-CA 125.309 1.444 . . . . 0.0 111.207 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 16.8 m -68.46 -13.33 62.23 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -175.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 172.65 170.02 35.92 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 125.246 1.403 . . . . 0.0 113.792 177.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -73.12 150.43 48.0 Favored 'Trans proline' 0 CA--C 1.537 0.647 0 C-N-CA 123.981 3.121 . . . . 0.0 111.453 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 25.7 t -164.66 154.32 13.59 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.193 1.397 . . . . 0.0 111.483 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 16.8 m -81.92 -7.14 59.59 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.463 1.105 . . . . 0.0 113.738 177.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.153 0 C-N-CA 125.091 1.329 . . . . 0.0 113.059 179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo . . . . . 0 CA--C 1.54 0.788 0 N-CA-C 113.456 0.522 . . . . 0.0 113.456 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.2 t -162.74 172.16 15.68 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.236 1.414 . . . . 0.0 111.286 179.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.7 p -150.91 10.0 0.6 Allowed 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.639 1.576 . . . . 0.0 113.66 -173.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.78 146.07 36.31 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.507 1.051 . . . . 0.0 113.536 -175.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.0 p -169.81 168.5 8.83 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 126.904 2.082 . . . . 0.0 110.383 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.2 m -77.26 -14.95 59.66 Favored 'General case' 0 N--CA 1.477 0.875 0 O-C-N 120.77 -1.206 . . . . 0.0 113.622 176.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.65 -52.21 3.49 Favored Glycine 0 CA--C 1.533 1.167 0 C-N-CA 126.076 1.798 . . . . 0.0 115.284 169.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -97.7 161.2 13.87 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.745 1.618 . . . . 0.0 113.246 -169.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 42.7 tp -69.0 155.19 40.77 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.455 1.502 . . . . 0.0 111.345 173.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -62.89 163.56 9.38 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 123.234 1.492 . . . . 0.0 113.426 176.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -75.79 157.03 84.32 Favored Pre-proline 0 CA--C 1.552 1.031 0 C-N-CA 126.356 1.862 . . . . 0.0 114.491 -169.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -77.55 -176.47 3.23 Favored 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 124.625 3.55 . . . . 0.0 112.393 -178.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.7 t -151.48 163.23 39.47 Favored 'General case' 0 N--CA 1.467 0.398 0 C-N-CA 126.154 1.782 . . . . 0.0 111.512 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp -102.26 -4.05 26.31 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.895 1.678 . . . . 0.0 111.654 -177.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.9 mt -89.95 -179.75 5.78 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.934 1.294 . . . . 0.0 112.451 -177.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.0 m -92.01 157.07 41.71 Favored Pre-proline 0 CA--C 1.539 0.544 0 C-N-CA 126.197 1.799 . . . . 0.0 111.722 174.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -61.35 -21.96 73.25 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 123.881 3.054 . . . . 0.0 113.07 177.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -78.41 -32.6 48.77 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.251 1.021 . . . . 0.0 112.398 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -70.76 -48.45 54.32 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.967 1.307 . . . . 0.0 111.983 -174.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mt -63.8 -41.56 97.89 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.813 1.645 . . . . 0.0 110.202 -177.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -64.54 -46.41 82.98 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 123.584 0.754 . . . . 0.0 111.983 169.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.09 -28.09 69.54 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -177.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.51 -28.58 63.59 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 172.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.7 t -99.28 -54.81 2.86 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.054 0.941 . . . . 0.0 111.32 176.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -67.35 -15.54 63.75 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.218 1.807 . . . . 0.0 114.838 -174.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -68.2 -17.79 70.49 Favored Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.763 1.173 . . . . 0.0 113.667 173.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -122.8 -47.87 2.05 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.599 1.16 . . . . 0.0 112.358 170.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.42 2.32 76.81 Favored Glycine 0 CA--C 1.534 1.277 0 C-N-CA 124.999 1.285 . . . . 0.0 114.035 178.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -89.18 -177.32 5.38 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 126.005 1.722 . . . . 0.0 111.882 174.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -172.24 153.61 3.08 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 126.077 1.751 . . . . 0.0 112.105 178.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.709 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -153.13 152.46 31.3 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.952 1.701 . . . . 0.0 110.223 175.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.7 m95 -118.6 146.44 44.62 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 124.626 1.17 . . . . 0.0 109.692 173.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -136.78 157.47 46.69 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 124.765 1.226 . . . . 0.0 111.456 -177.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 45.9 p90 -136.02 149.51 48.84 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.503 1.521 . . . . 0.0 111.385 175.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -75.48 91.73 2.81 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.327 0.512 . . . . 0.0 111.481 177.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -82.38 -177.88 52.11 Favored Glycine 0 CA--C 1.532 1.103 0 C-N-CA 124.363 0.983 . . . . 0.0 112.703 173.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -60.0 -33.91 72.63 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -171.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -108.45 -7.08 15.88 Favored 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 -177.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 151.54 -171.05 31.09 Favored Glycine 0 N--CA 1.473 1.126 0 C-N-CA 125.92 1.724 . . . . 0.0 112.805 179.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -63.58 127.11 29.86 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.259 0.624 . . . . 0.0 111.643 172.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 39.7 m95 -125.23 142.72 51.32 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.407 1.083 . . . . 0.0 111.31 175.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -82.1 138.28 34.82 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.729 0.812 . . . . 0.0 111.328 -172.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -69.16 150.67 47.26 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.757 0.823 . . . . 0.0 111.861 169.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -58.73 154.0 15.59 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.283 1.433 . . . . 0.0 112.791 176.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -68.11 -19.79 64.87 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.478 1.111 . . . . 0.0 113.285 -174.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.3 mmt85 -95.35 -12.0 26.81 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.41 1.084 . . . . 0.0 112.042 175.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.5 m -97.4 -53.59 3.41 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.5 1.52 . . . . 0.0 111.241 176.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.5 p -58.06 -30.66 66.38 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.129 0.972 . . . . 0.0 113.225 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.97 -27.97 69.77 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 174.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -73.07 -39.33 65.96 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.921 0.782 . . . . 0.0 109.904 179.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.8 mt -66.88 -44.38 81.03 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.718 1.607 . . . . 0.0 110.608 177.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -62.49 -31.05 71.74 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.313 1.445 . . . . 0.0 112.923 175.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -80.78 -36.81 31.33 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 121.246 -0.909 . . . . 0.0 110.778 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.44 -49.11 76.76 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.787 1.235 . . . . 0.0 114.114 -174.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -69.45 -19.02 63.78 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 118.79 0.723 . . . . 0.0 111.96 176.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.2 t -83.17 -31.0 27.36 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.916 1.286 . . . . 0.0 112.604 175.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -73.49 -42.34 61.96 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 125.113 1.365 . . . . 0.0 111.682 175.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 124.7 -7.38 8.34 Favored Glycine 0 C--N 1.34 0.779 0 C-N-CA 124.924 1.25 . . . . 0.0 114.174 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -65.34 151.66 45.71 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 119.158 1.479 . . . . 0.0 112.48 173.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -98.85 -0.41 42.49 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.161 1.384 . . . . 0.0 113.091 -175.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -171.64 147.92 2.37 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 126.885 2.074 . . . . 0.0 109.553 176.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.4 t -136.55 179.58 6.28 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.375 1.07 . . . . 0.0 111.748 178.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -128.92 146.57 50.92 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 125.631 1.573 . . . . 0.0 111.592 -171.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 12.2 ptt? -152.21 146.7 25.64 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.954 1.302 . . . . 0.0 112.101 -174.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.93 142.56 33.03 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.807 1.643 . . . . 0.0 109.93 177.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.32 -152.79 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 C-N-CA 124.872 1.269 . . . . 0.0 111.734 -179.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.24 -15.9 18.06 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 115.556 1.687 . . . . 0.0 115.556 178.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.92 15.58 0.03 OUTLIER Glycine 0 CA--C 1.533 1.179 0 N-CA-C 116.803 1.481 . . . . 0.0 116.803 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -149.97 154.28 37.98 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.839 1.319 . . . . 0.0 111.993 -169.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.63 124.38 38.63 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.416 1.086 . . . . 0.0 108.079 169.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 21.6 m-85 -112.68 130.9 55.89 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.46 1.104 . . . . 0.0 111.461 170.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.5 t -83.68 120.49 34.82 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 106.797 -1.556 . . . . 0.0 106.797 169.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -91.47 108.39 19.87 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 124.166 0.986 . . . . 0.0 108.458 170.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -82.21 111.81 18.65 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.374 1.47 . . . . 0.0 109.163 176.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.8 mp -86.92 -8.47 57.22 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.905 1.282 . . . . 0.0 112.46 -177.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -79.03 -52.61 7.98 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.417 1.008 . . . . 0.0 111.015 173.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -94.43 -10.07 33.58 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.339 1.856 . . . . 0.0 112.128 -173.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.3 mmt 55.96 64.81 1.61 Allowed 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 126.659 1.984 . . . . 0.0 111.329 -173.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 17.9 m -142.76 154.29 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 O-C-N 121.238 -0.914 . . . . 0.0 112.347 178.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -101.3 145.97 28.17 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.814 0.846 . . . . 0.0 109.707 168.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.2 p90 -161.53 160.25 28.81 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.706 1.202 . . . . 0.0 113.783 171.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -79.27 137.1 37.24 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.975 1.31 . . . . 0.0 111.175 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -47.45 -45.85 26.25 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 125.356 1.462 . . . . 0.0 114.516 -175.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -92.43 0.44 57.44 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 124.961 1.304 . . . . 0.0 113.759 -175.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -148.01 50.23 1.04 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.604 1.562 . . . . 0.0 109.639 -169.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 39.0 p-80 -64.86 -18.17 64.92 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -169.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.83 -37.21 92.12 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 124.941 1.258 . . . . 0.0 112.617 175.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.8 mmm-85 -71.35 102.36 2.59 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 124.053 0.941 . . . . 0.0 109.569 169.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 31.6 ptt-85 -146.51 162.9 37.33 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.552 1.141 . . . . 0.0 113.435 -174.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 11.4 ptt-85 -158.25 149.94 21.43 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.814 1.646 . . . . 0.0 111.339 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 mmmt -64.47 144.64 57.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.583 1.553 . . . . 0.0 114.003 -172.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.9 pt -122.15 170.48 12.27 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.913 1.685 . . . . 0.0 110.681 170.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.7 pttt -155.73 165.75 35.58 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.719 1.208 . . . . 0.0 113.07 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 28.7 mtp-105 -103.92 152.23 22.21 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 125.548 1.539 . . . . 0.0 110.647 167.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -150.28 168.57 23.67 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 126.368 1.867 . . . . 0.0 110.939 172.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.3 mm -123.97 134.63 65.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.508 1.523 . . . . 0.0 109.074 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.709 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.4 mp -85.62 141.11 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 123.745 0.818 . . . . 0.0 110.611 175.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -99.18 -22.06 15.83 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 115.065 1.505 . . . . 0.0 115.065 -178.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 23.2 mm 75.66 128.03 0.03 OUTLIER Pre-proline 0 N--CA 1.486 1.326 0 C-N-CA 128.874 2.87 . . . . 0.0 112.005 176.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -78.88 170.61 17.76 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 124.014 3.143 . . . . 0.0 111.971 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.3 ptpp? -63.68 -15.08 57.45 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 175.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -79.68 -13.44 59.47 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 125.721 1.608 . . . . 0.0 113.159 172.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -74.6 52.83 2.37 Favored Glycine 0 N--CA 1.475 1.284 0 C-N-CA 126.782 2.134 . . . . 0.0 114.63 -176.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 89.0 t -63.31 132.78 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 125.572 1.549 . . . . 0.0 110.092 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 53.7 p -81.03 -0.96 42.06 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 -170.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.71 133.52 32.27 Favored Glycine 0 CA--C 1.544 1.868 0 CA-C-O 117.861 -1.521 . . . . 0.0 112.203 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -57.34 143.93 92.6 Favored 'Trans proline' 0 C--N 1.352 0.744 0 C-N-CA 123.937 3.091 . . . . 0.0 113.569 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 51.0 p -85.67 2.43 45.29 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.025 1.33 . . . . 0.0 113.601 177.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 14.9 m -73.18 -7.88 53.34 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.562 1.545 . . . . 0.0 114.991 -173.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.227 0 C-N-CA 125.302 1.429 . . . . 0.0 112.935 179.772 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo . . . . . 0 CA--C 1.539 0.76 0 N-CA-C 113.472 0.528 . . . . 0.0 113.472 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 p -88.85 -2.78 58.76 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.907 1.283 . . . . 0.0 114.103 -178.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -161.96 175.93 11.32 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.279 1.832 . . . . 0.0 110.983 -178.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.4 -154.59 21.85 Favored Glycine 0 CA--C 1.532 1.144 0 C-N-CA 125.471 1.51 . . . . 0.0 112.757 -175.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 t -161.13 164.52 30.58 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 125.154 1.382 . . . . 0.0 111.607 -177.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 m -78.9 -6.26 55.71 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.903 1.281 . . . . 0.0 114.03 -177.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.88 167.04 31.03 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 125.567 1.556 . . . . 0.0 113.643 178.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -130.36 178.32 6.68 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 126.35 1.86 . . . . 0.0 112.447 -174.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.4 tp -143.47 139.03 29.68 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.684 1.594 . . . . 0.0 109.752 175.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 36.4 t0 -154.98 173.16 16.94 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 125.422 1.489 . . . . 0.0 111.663 -172.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -136.37 160.31 67.34 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 126.978 2.111 . . . . 0.0 112.675 -172.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -72.05 171.82 15.95 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 124.014 3.143 . . . . 0.0 112.684 -176.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.9 t -168.82 171.1 8.76 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 126.462 1.905 . . . . 0.0 111.425 -169.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp -108.25 -5.02 17.04 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 126.424 1.89 . . . . 0.0 111.773 -179.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.3 mt -93.06 -177.8 4.6 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.951 1.301 . . . . 0.0 112.783 -176.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 m -93.9 156.28 39.46 Favored Pre-proline 0 CA--C 1.539 0.55 0 C-N-CA 126.838 2.055 . . . . 0.0 112.347 177.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -60.54 -22.36 71.9 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 123.856 3.037 . . . . 0.0 113.014 176.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -87.27 -11.94 48.12 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.523 1.129 . . . . 0.0 113.253 178.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -88.55 -51.0 5.93 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 124.962 1.305 . . . . 0.0 110.736 175.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mt -61.03 -48.65 80.79 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 125.488 1.515 . . . . 0.0 110.523 -177.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -64.67 -28.3 69.51 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 176.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.81 -43.1 47.75 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.748 0.819 . . . . 0.0 112.096 175.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.46 -44.29 83.17 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.119 0.968 . . . . 0.0 112.018 175.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.5 t -67.29 -19.66 65.52 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.376 1.071 . . . . 0.0 113.456 -179.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -69.54 -26.66 64.61 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.863 0.865 . . . . 0.0 112.297 171.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -88.9 -59.73 1.57 Allowed Glycine 0 CA--C 1.53 0.997 0 C-N-CA 125.416 1.484 . . . . 0.0 111.584 172.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -160.02 -42.27 0.05 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.794 1.237 . . . . 0.0 112.931 174.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 114.25 -10.42 22.32 Favored Glycine 0 N--CA 1.475 1.274 0 C-N-CA 125.902 1.715 . . . . 0.0 114.417 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.84 -177.45 4.97 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.384 1.474 . . . . 0.0 112.663 173.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.2 p90 -171.46 152.01 3.16 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.269 1.828 . . . . 0.0 112.662 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.655 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -155.62 157.38 36.63 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.465 1.506 . . . . 0.0 111.321 176.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -111.51 149.8 30.85 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.476 1.11 . . . . 0.0 110.074 169.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -135.85 157.06 47.79 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 125.003 1.321 . . . . 0.0 111.527 178.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 45.8 p90 -136.76 148.33 47.18 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 125.061 1.344 . . . . 0.0 112.062 176.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.38 100.96 10.3 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 124.856 1.262 . . . . 0.0 109.015 -177.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.99 -143.16 8.5 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 124.684 1.135 . . . . 0.0 112.388 -176.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -89.72 -23.87 21.7 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.267 1.027 . . . . 0.0 113.63 -178.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -124.86 -6.2 7.38 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.992 1.478 . . . . 0.0 114.992 -175.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 155.26 -168.61 33.12 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 125.65 1.595 . . . . 0.0 113.13 178.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -68.58 128.21 35.8 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.586 0.754 . . . . 0.0 111.372 171.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 43.8 m95 -126.38 141.47 51.89 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 125.121 1.368 . . . . 0.0 110.979 177.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -79.41 139.15 37.78 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.287 0.635 . . . . 0.0 111.122 -173.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -68.79 158.49 34.26 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.931 0.892 . . . . 0.0 113.239 170.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -69.26 154.87 41.35 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.332 1.053 . . . . 0.0 112.15 171.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -68.12 -21.29 64.94 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.632 1.173 . . . . 0.0 113.362 -176.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.7 mmt85 -93.41 -13.98 27.34 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 124.003 0.921 . . . . 0.0 112.149 177.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.1 m -95.9 -52.62 3.99 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.235 1.414 . . . . 0.0 111.281 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.1 p -59.34 -29.31 67.57 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.321 0.859 . . . . 0.0 113.321 -179.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -28.42 69.97 Favored 'General case' 0 C--O 1.224 -0.246 0 CA-C-O 119.006 -0.521 . . . . 0.0 112.289 174.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -72.24 -38.33 68.93 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.08 0.854 . . . . 0.0 109.989 179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.4 mt -68.71 -44.69 73.39 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.744 1.618 . . . . 0.0 110.699 177.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -62.43 -32.84 73.76 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.54 1.536 . . . . 0.0 112.871 176.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -81.2 -35.07 31.82 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.265 1.026 . . . . 0.0 111.158 -178.055 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.68 -49.5 74.87 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.754 1.222 . . . . 0.0 114.146 -175.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -68.57 -21.59 64.52 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 118.928 0.786 . . . . 0.0 111.826 176.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.1 t -80.69 -30.68 36.41 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.892 1.277 . . . . 0.0 112.547 176.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -73.62 -42.73 61.1 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.126 1.37 . . . . 0.0 111.703 173.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.51 -7.44 7.93 Favored Glycine 0 N--CA 1.468 0.833 0 C-N-CA 124.964 1.268 . . . . 0.0 114.171 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.2 ptpt -65.89 151.83 45.84 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 119.255 1.527 . . . . 0.0 112.414 173.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -99.64 0.69 42.55 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.196 1.398 . . . . 0.0 113.31 -175.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -171.72 147.23 2.24 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 126.884 2.074 . . . . 0.0 109.496 176.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.2 t -136.25 176.95 8.23 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.177 0.991 . . . . 0.0 112.001 178.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -125.1 147.71 48.87 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 125.705 1.602 . . . . 0.0 111.627 -171.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.1 ptt? -155.07 146.13 22.68 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.777 1.231 . . . . 0.0 112.226 -174.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.54 143.02 32.03 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.842 1.657 . . . . 0.0 110.131 177.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.31 -151.94 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.069 1.348 . . . . 0.0 111.794 -178.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.27 -17.48 29.04 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 115.458 1.651 . . . . 0.0 115.458 178.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.83 16.91 0.03 OUTLIER Glycine 0 CA--C 1.534 1.22 0 N-CA-C 116.53 1.372 . . . . 0.0 116.53 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -148.71 152.29 36.38 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 118.735 1.267 . . . . 0.0 111.899 -171.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.45 122.09 35.53 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 168.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -109.37 130.18 55.51 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 124.691 1.196 . . . . 0.0 110.954 171.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 19.3 t -86.41 116.04 28.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 N-CA-C 106.923 -1.51 . . . . 0.0 106.923 170.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -87.62 110.82 20.66 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.292 1.037 . . . . 0.0 108.81 172.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -84.16 110.81 18.8 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.785 1.634 . . . . 0.0 109.379 178.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.8 mp -86.07 -9.0 57.5 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.695 1.198 . . . . 0.0 112.624 -177.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -77.87 -50.3 12.53 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.085 0.857 . . . . 0.0 111.502 174.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -99.19 -10.18 22.78 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.201 1.801 . . . . 0.0 112.048 -172.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.4 mmt 54.19 65.49 1.49 Allowed 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 126.406 1.882 . . . . 0.0 111.122 -172.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.7 m -139.22 168.84 18.12 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 C-N-CA 125.506 1.522 . . . . 0.0 110.818 174.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -122.62 147.2 46.71 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.723 1.609 . . . . 0.0 110.113 169.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 9.4 p90 -155.52 150.85 26.98 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.968 1.307 . . . . 0.0 112.53 174.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -78.92 141.99 37.12 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.834 1.654 . . . . 0.0 111.428 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -58.63 -18.89 34.26 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 115.047 1.499 . . . . 0.0 115.047 -175.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -75.34 -21.09 58.65 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 176.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -156.64 127.41 6.75 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 122.371 1.081 . . . . 0.0 112.72 177.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 55.9 t60 -86.28 -26.19 25.1 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.459 1.103 . . . . 0.0 113.653 -173.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -76.57 -47.28 10.39 Favored Glycine 0 N--CA 1.471 0.989 0 C-N-CA 124.168 0.89 . . . . 0.0 112.315 -174.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 31.9 tpt180 -66.15 114.36 5.21 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.315 1.046 . . . . 0.0 109.355 172.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 30.7 ptt-85 -150.82 156.99 42.37 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.079 1.352 . . . . 0.0 112.184 -171.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 23.9 mmm180 -129.89 144.69 51.45 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.567 1.547 . . . . 0.0 110.065 177.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.3 mmmt -65.51 147.33 53.59 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.46 1.104 . . . . 0.0 113.773 -177.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 16.8 pt -130.55 167.16 26.33 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 C-N-CA 124.879 1.272 . . . . 0.0 110.269 168.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 43.6 pttt -155.33 165.55 36.29 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.835 1.254 . . . . 0.0 112.979 176.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -105.26 146.41 29.36 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 126.261 1.825 . . . . 0.0 109.597 168.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.22 179.6 8.38 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.411 1.484 . . . . 0.0 111.972 -178.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.9 mm -131.22 139.88 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 C-N-CA 126.07 1.748 . . . . 0.0 110.204 -175.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.655 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.3 mp -90.24 141.19 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 C-N-CA 123.951 0.901 . . . . 0.0 110.261 171.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -100.94 -18.47 16.31 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 115.164 1.542 . . . . 0.0 115.164 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 26.2 mm 76.46 129.26 0.03 OUTLIER Pre-proline 0 N--CA 1.486 1.33 0 C-N-CA 128.766 2.826 . . . . 0.0 112.16 174.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -77.01 173.42 14.48 Favored 'Trans proline' 0 C--N 1.353 0.808 0 C-N-CA 124.015 3.143 . . . . 0.0 111.82 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -57.14 -25.69 59.29 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -56.07 -20.97 19.3 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 125.32 1.448 . . . . 0.0 113.539 173.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -62.63 -12.05 38.75 Favored Glycine 0 CA--C 1.534 1.264 0 C-N-CA 125.597 1.57 . . . . 0.0 115.197 172.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 5.0 p -62.68 -22.3 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 CA-C-N 118.634 1.217 . . . . 0.0 112.909 169.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 69.7 m -77.93 115.74 17.9 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.874 0.87 . . . . 0.0 111.282 175.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -82.11 172.83 53.03 Favored Glycine 0 CA--C 1.541 1.676 0 C-N-CA 124.335 0.969 . . . . 0.0 114.318 -177.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -72.4 162.91 40.17 Favored 'Trans proline' 0 CA--C 1.536 0.593 0 C-N-CA 124.246 3.297 . . . . 0.0 111.922 178.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.4 m -72.75 -4.45 31.46 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -176.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.7 t -163.05 153.49 16.34 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.056 1.742 . . . . 0.0 111.115 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.193 0 C-N-CA 125.353 1.454 . . . . 0.0 112.634 -178.313 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_exo . . . . . 0 CA--C 1.54 0.787 0 N-CA-C 113.561 0.562 . . . . 0.0 113.561 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -164.01 177.63 8.34 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.472 1.509 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.9 m -163.39 147.81 10.9 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.62 1.968 . . . . 0.0 111.175 -179.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.0 165.74 41.17 Favored Glycine 0 CA--C 1.533 1.19 0 C-N-CA 124.858 1.218 . . . . 0.0 113.602 -177.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.5 p -168.16 156.22 8.58 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.286 1.435 . . . . 0.0 112.039 -175.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.5 p -85.73 -14.24 45.92 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.247 1.019 . . . . 0.0 113.698 174.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -92.03 174.37 37.21 Favored Glycine 0 CA--C 1.534 1.225 0 C-N-CA 125.646 1.593 . . . . 0.0 113.114 173.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -132.91 157.27 45.53 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.758 1.623 . . . . 0.0 111.958 -174.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.3 tp -99.64 150.31 22.39 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.589 1.556 . . . . 0.0 111.247 -178.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -67.68 160.32 28.24 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.66 1.184 . . . . 0.0 113.336 175.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -129.62 157.86 75.23 Favored Pre-proline 0 CA--C 1.55 0.949 0 C-N-CA 125.49 1.516 . . . . 0.0 113.316 -172.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -76.03 -176.13 2.88 Favored 'Trans proline' 0 C--N 1.353 0.781 0 C-N-CA 124.671 3.581 . . . . 0.0 112.526 -177.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.8 t -147.95 162.09 40.03 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 126.083 1.753 . . . . 0.0 111.633 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mp -106.53 -2.74 21.59 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 126.062 1.745 . . . . 0.0 111.695 -177.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.3 mt -87.21 -178.55 6.25 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.933 1.293 . . . . 0.0 112.456 -177.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.7 m -94.18 157.78 37.08 Favored Pre-proline 0 CA--C 1.538 0.484 0 C-N-CA 126.349 1.86 . . . . 0.0 111.618 175.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -60.11 -25.3 79.49 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 123.737 2.958 . . . . 0.0 112.776 177.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.4 mm-40 -76.37 -33.48 58.91 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.346 1.058 . . . . 0.0 112.383 177.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -69.53 -48.93 58.85 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.801 1.24 . . . . 0.0 111.493 -177.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.3 mt -64.49 -47.19 79.88 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 125.687 1.595 . . . . 0.0 110.291 -178.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -60.33 -38.72 84.62 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 171.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.55 -38.09 80.5 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.667 1.121 . . . . 0.0 112.615 176.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.62 -42.29 95.6 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.89 0.876 . . . . 0.0 111.896 172.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 9.7 t -69.33 -33.18 72.74 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.819 0.848 . . . . 0.0 112.953 179.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -62.41 -21.86 65.72 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.724 1.209 . . . . 0.0 112.979 171.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.12 -15.35 76.58 Favored Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.939 1.733 . . . . 0.0 114.916 176.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -67.32 120.85 14.51 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 118.612 1.206 . . . . 0.0 111.613 174.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -105.4 -1.34 40.81 Favored Glycine 0 N--CA 1.475 1.286 0 C-N-CA 125.392 1.472 . . . . 0.0 115.764 -172.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -154.57 -175.06 5.23 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.635 1.974 . . . . 0.0 110.233 -173.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.4 p90 -170.85 152.43 3.64 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 125.504 1.521 . . . . 0.0 112.583 179.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.671 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -153.13 158.62 42.1 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.95 1.7 . . . . 0.0 110.448 176.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 32.9 m95 -118.52 149.44 41.3 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 124.429 1.092 . . . . 0.0 109.993 170.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -137.46 155.89 48.8 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.968 1.307 . . . . 0.0 111.357 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -135.57 149.11 49.31 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.304 1.442 . . . . 0.0 111.282 174.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -80.94 104.07 11.2 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 118.26 0.482 . . . . 0.0 110.735 175.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -85.96 -156.22 27.19 Favored Glycine 0 CA--C 1.532 1.109 0 C-N-CA 124.356 0.979 . . . . 0.0 111.696 169.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 82.7 mmt-85 -61.28 -43.53 98.73 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.951 0.9 . . . . 0.0 113.422 -177.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -107.08 -9.92 16.05 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 -170.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 153.41 -161.61 29.84 Favored Glycine 0 N--CA 1.472 1.067 0 C-N-CA 125.275 1.417 . . . . 0.0 113.165 178.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -66.67 129.36 39.6 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.084 0.954 . . . . 0.0 112.378 174.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 61.3 m95 -129.47 139.26 51.64 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 125.408 1.483 . . . . 0.0 110.61 175.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -82.12 140.37 33.84 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.621 0.768 . . . . 0.0 111.557 -170.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -71.5 156.28 39.62 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.949 0.899 . . . . 0.0 112.854 169.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -66.04 156.32 34.13 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.811 1.244 . . . . 0.0 112.248 172.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -66.88 -22.1 65.98 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.634 1.174 . . . . 0.0 113.192 -176.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.5 mmt85 -92.74 -13.85 28.75 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.898 0.879 . . . . 0.0 112.23 177.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.4 m -95.86 -52.53 4.03 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.086 1.354 . . . . 0.0 111.314 176.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 77.3 p -59.88 -29.37 68.27 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -28.36 69.98 Favored 'General case' 0 C--O 1.224 -0.237 0 CA-C-O 118.911 -0.566 . . . . 0.0 112.422 174.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -72.46 -39.03 68.08 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.107 0.867 . . . . 0.0 110.001 179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 30.1 mt -67.69 -44.83 76.82 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.655 1.582 . . . . 0.0 110.669 177.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.9 tp10 -63.84 -30.68 71.75 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.279 1.432 . . . . 0.0 112.83 176.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.5 t0 -81.69 -37.55 27.2 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.053 0.941 . . . . 0.0 110.954 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.96 -49.18 78.67 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.814 1.246 . . . . 0.0 114.157 -176.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -69.46 -18.66 63.73 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 118.722 0.692 . . . . 0.0 112.095 176.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.8 t -84.53 -30.07 25.42 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.012 1.325 . . . . 0.0 112.56 175.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -74.73 -42.61 57.97 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.135 1.374 . . . . 0.0 111.736 176.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.12 -7.49 8.1 Favored Glycine 0 C--N 1.34 0.802 0 C-N-CA 124.87 1.224 . . . . 0.0 114.199 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -65.8 151.16 47.27 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.116 1.458 . . . . 0.0 112.266 172.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.9 pttt -98.57 -0.73 42.6 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.891 1.276 . . . . 0.0 113.334 -175.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -170.42 146.57 2.85 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.88 2.072 . . . . 0.0 109.421 178.244 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.3 t -134.74 176.69 8.41 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.293 1.037 . . . . 0.0 111.904 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -126.57 145.36 50.57 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 125.569 1.547 . . . . 0.0 111.488 -172.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 13.6 ptt? -151.16 146.35 26.06 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 124.873 1.269 . . . . 0.0 112.077 -173.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.39 142.82 32.22 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 125.819 1.648 . . . . 0.0 109.906 177.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.82 -152.84 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.968 1.307 . . . . 0.0 111.635 -179.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.29 -16.07 19.56 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 115.53 1.678 . . . . 0.0 115.53 178.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.72 16.13 0.03 OUTLIER Glycine 0 CA--C 1.534 1.264 0 N-CA-C 116.637 1.415 . . . . 0.0 116.637 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -150.28 152.66 34.86 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 118.841 1.321 . . . . 0.0 112.129 -169.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.14 124.78 37.36 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 169.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -113.4 130.21 56.35 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.574 1.15 . . . . 0.0 111.296 170.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.8 t -85.86 113.79 24.56 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 C-N-CA 125.772 1.629 . . . . 0.0 107.093 171.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -88.45 108.51 19.42 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.378 1.071 . . . . 0.0 108.994 173.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -84.0 114.94 22.07 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 125.12 1.368 . . . . 0.0 110.495 176.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.0 mp -86.15 -13.37 47.29 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.953 1.301 . . . . 0.0 112.19 -178.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -65.99 -54.66 23.34 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 119.386 0.994 . . . . 0.0 111.78 174.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.7 m-80 -101.86 -5.99 24.1 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.633 1.573 . . . . 0.0 112.424 -173.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.7 mmt 58.07 65.08 1.36 Allowed 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 126.79 2.036 . . . . 0.0 111.085 -173.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 29.5 m -140.34 170.25 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 124.235 1.014 . . . . 0.0 111.341 177.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.485 ' NE2' HN61 ' A' ' 201' ' ' ATP . 1.9 pp0? -142.98 136.28 28.32 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.169 0.988 . . . . 0.0 111.774 177.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.1 p90 -151.47 163.64 38.54 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.965 1.706 . . . . 0.0 113.956 -172.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -73.37 148.01 43.79 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 121.331 -0.856 . . . . 0.0 111.64 172.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -54.91 -24.86 25.5 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -178.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -68.99 -30.84 69.33 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -177.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -165.2 129.13 2.35 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.68 0.792 . . . . 0.0 112.91 -171.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 34.7 p80 -65.36 -15.8 62.94 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 175.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -74.42 -17.03 79.74 Favored Glycine 0 CA--C 1.535 1.29 0 C-N-CA 125.689 1.614 . . . . 0.0 114.053 177.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.4 tpt85 -83.45 39.26 0.66 Allowed 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 126.006 1.723 . . . . 0.0 111.441 175.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 29.8 ptt-85 -99.17 148.75 23.77 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 115.763 1.764 . . . . 0.0 115.763 -169.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -131.05 145.79 52.15 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 127.764 2.426 . . . . 0.0 109.549 172.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -65.86 143.06 57.69 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.333 1.053 . . . . 0.0 113.341 178.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 6.2 pt -125.79 168.78 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 124.973 1.309 . . . . 0.0 111.001 169.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 45.0 pttt -155.84 165.62 35.94 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.321 1.449 . . . . 0.0 112.901 174.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 29.9 mtp-105 -99.92 151.62 21.11 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.22 1.408 . . . . 0.0 109.243 166.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.03 178.63 9.49 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.16 1.384 . . . . 0.0 111.587 174.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.5 mm -130.61 140.34 49.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 C-N-CA 125.546 1.539 . . . . 0.0 110.353 -175.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.671 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.1 mp -92.05 140.54 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.277 1.031 . . . . 0.0 110.673 171.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -104.38 -18.41 14.43 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 22.6 mm 74.69 127.84 0.03 OUTLIER Pre-proline 0 N--CA 1.486 1.336 0 C-N-CA 129.09 2.956 . . . . 0.0 111.628 178.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -76.85 167.41 25.31 Favored 'Trans proline' 0 C--N 1.352 0.753 0 C-N-CA 123.645 2.897 . . . . 0.0 112.411 -176.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -64.39 -11.92 37.67 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 177.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -83.08 -30.3 28.1 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.018 1.327 . . . . 0.0 112.385 169.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -87.31 -39.48 7.3 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 125.489 1.519 . . . . 0.0 113.005 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.3 t -73.05 115.95 14.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.046 0.938 . . . . 0.0 108.672 170.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.1 t -165.68 165.16 18.86 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.055 1.342 . . . . 0.0 111.724 -175.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -84.26 173.52 50.1 Favored Glycine 0 CA--C 1.54 1.642 0 C-N-CA 125.041 1.305 . . . . 0.0 113.931 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -74.68 161.21 39.93 Favored 'Trans proline' 0 CA--C 1.536 0.609 0 C-N-CA 124.095 3.197 . . . . 0.0 111.795 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 18.8 m -68.36 -5.62 19.86 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.245 1.202 . . . . 0.0 114.245 -179.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.2 m -74.78 -9.1 58.23 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.487 1.515 . . . . 0.0 114.268 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.173 0 C-N-CA 125.092 1.329 . . . . 0.0 113.161 179.11 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ATP . . . . . 0.485 HN61 ' NE2' ' A' ' 80' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_exo . . . . . 0 CA--C 1.541 0.834 0 N-CA-C 113.456 0.522 . . . . 0.0 113.456 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.0 p -68.47 -20.84 64.64 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 123.815 0.846 . . . . 0.0 113.036 174.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.2 p -86.35 10.59 14.48 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.885 2.074 . . . . 0.0 113.099 169.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.09 -129.69 9.28 Favored Glycine 0 C--N 1.342 0.873 0 C-N-CA 125.17 1.367 . . . . 0.0 111.103 -176.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 m -94.45 10.76 33.18 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.873 1.269 . . . . 0.0 113.036 178.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 t -65.52 138.72 58.25 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 120.754 -1.217 . . . . 0.0 113.188 -176.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 171.25 171.12 36.14 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 125.568 1.556 . . . . 0.0 113.276 -178.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -111.88 164.98 12.49 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.621 1.568 . . . . 0.0 112.835 -176.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.492 HD23 ' H ' ' A' ' 10' ' ' ASP . 0.5 OUTLIER -155.57 166.35 33.79 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.251 1.82 . . . . 0.0 110.75 -179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.492 ' H ' HD23 ' A' ' 9' ' ' LEU . 17.7 m-20 -145.05 142.04 29.39 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.42 1.488 . . . . 0.0 112.096 -172.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 11.4 mttp -78.13 163.01 64.82 Favored Pre-proline 0 CA--C 1.552 1.023 0 C-N-CA 125.388 1.475 . . . . 0.0 113.143 173.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -69.22 173.5 10.4 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 123.493 2.796 . . . . 0.0 112.065 178.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.8 t -164.89 171.61 13.9 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.084 1.353 . . . . 0.0 112.477 -168.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.2 mp -120.08 -1.23 10.4 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.791 2.036 . . . . 0.0 111.667 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.5 mt -77.52 -179.97 6.15 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 122.774 1.273 . . . . 0.0 112.46 175.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.7 m -86.53 155.21 56.73 Favored Pre-proline 0 CA--C 1.537 0.468 0 C-N-CA 126.149 1.78 . . . . 0.0 111.927 175.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -61.73 -22.1 73.63 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.612 2.875 . . . . 0.0 112.787 177.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -81.09 -31.27 34.41 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.212 1.005 . . . . 0.0 112.467 178.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -68.28 -49.22 61.97 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 125.032 1.333 . . . . 0.0 111.251 -179.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 mt -67.05 -46.34 74.65 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 125.987 1.715 . . . . 0.0 110.477 -177.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -59.58 -40.18 86.52 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 118.461 -0.78 . . . . 0.0 112.551 170.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.78 -38.58 89.39 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.963 1.256 . . . . 0.0 112.559 176.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.51 -46.77 84.54 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.725 0.81 . . . . 0.0 112.048 172.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.1 t -64.16 -38.69 91.96 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.428 1.091 . . . . 0.0 112.935 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -69.33 -16.46 63.55 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.318 1.447 . . . . 0.0 113.605 174.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.58 -67.02 1.55 Allowed Glycine 0 C--N 1.341 0.854 0 N-CA-C 109.719 -1.353 . . . . 0.0 109.719 169.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -165.99 -9.41 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 114.756 1.391 . . . . 0.0 114.756 170.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.99 4.65 66.83 Favored Glycine 0 CA--C 1.54 1.594 0 C-N-CA 125.265 1.412 . . . . 0.0 112.975 -168.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.9 -176.56 6.17 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 126.651 1.981 . . . . 0.0 112.566 175.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 41.5 p90 -170.99 151.4 3.28 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 125.917 1.687 . . . . 0.0 113.186 -179.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.656 ' HB2' HD11 ' A' ' 97' ' ' ILE . . . -155.17 158.84 39.56 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.045 1.738 . . . . 0.0 111.395 176.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 55.6 m95 -111.59 146.96 36.45 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.047 1.339 . . . . 0.0 111.127 172.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -137.8 155.16 49.31 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.39 1.476 . . . . 0.0 112.069 -178.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -129.44 152.77 48.62 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.838 1.655 . . . . 0.0 111.47 174.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -73.16 103.47 3.91 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 122.033 -0.417 . . . . 0.0 110.234 172.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -89.48 178.57 44.42 Favored Glycine 0 CA--C 1.529 0.96 0 C-N-CA 124.642 1.115 . . . . 0.0 112.236 170.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.3 ttm-85 -67.7 -29.08 68.24 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -172.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -106.27 -6.36 18.48 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 125.281 1.432 . . . . 0.0 114.475 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 150.0 -173.51 29.69 Favored Glycine 0 CA--C 1.531 1.091 0 C-N-CA 126.275 1.893 . . . . 0.0 112.665 179.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -63.02 129.65 41.29 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 122.145 -0.621 . . . . 0.0 111.868 171.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -127.87 144.42 51.09 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.398 1.079 . . . . 0.0 111.648 176.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -80.24 141.75 35.28 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.755 0.822 . . . . 0.0 111.22 -173.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -68.83 158.82 33.67 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 172.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -64.96 149.11 50.32 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.65 1.18 . . . . 0.0 111.767 170.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -69.01 -17.95 63.98 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.787 1.235 . . . . 0.0 113.424 -173.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 -95.14 -11.79 27.55 Favored 'General case' 0 N--CA 1.468 0.457 0 C-N-CA 124.306 1.042 . . . . 0.0 111.777 175.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.5 m -95.04 -53.97 3.62 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.768 1.227 . . . . 0.0 110.794 173.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.5 p -59.25 -29.94 67.91 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -177.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -30.0 71.14 Favored 'General case' 0 C--O 1.223 -0.303 0 C-N-CA 122.864 0.466 . . . . 0.0 112.255 175.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -70.44 -36.56 74.02 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.049 0.84 . . . . 0.0 110.116 179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.7 mt -75.25 -40.32 59.06 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 126.171 1.788 . . . . 0.0 111.076 -178.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -64.17 -44.18 92.85 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.008 0.923 . . . . 0.0 112.488 171.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -67.47 -36.56 81.38 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.563 0.697 . . . . 0.0 110.151 -175.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.87 -49.44 77.45 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.286 1.435 . . . . 0.0 113.842 175.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -66.17 -24.31 66.62 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.896 1.225 . . . . 0.0 111.82 174.247 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.8 t -80.82 -24.45 38.47 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 124.755 1.222 . . . . 0.0 113.585 177.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.9 mtpp -81.69 -42.51 19.8 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.21 1.404 . . . . 0.0 112.088 178.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 123.48 -7.61 9.02 Favored Glycine 0 C--N 1.34 0.791 0 C-N-CA 124.776 1.179 . . . . 0.0 114.229 -176.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -65.61 155.4 35.94 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.169 1.484 . . . . 0.0 111.957 169.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.5 pttp -104.03 0.33 29.71 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.801 1.24 . . . . 0.0 113.284 -177.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -169.93 152.96 4.56 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 126.134 1.773 . . . . 0.0 110.664 177.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.9 t -148.56 176.05 10.65 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 125.505 1.522 . . . . 0.0 111.39 -175.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -121.35 145.76 47.56 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.318 1.447 . . . . 0.0 111.9 -172.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -153.59 155.31 35.87 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.176 1.39 . . . . 0.0 112.263 -177.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.55 143.28 33.93 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 125.997 1.719 . . . . 0.0 110.306 178.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -121.48 -153.07 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.011 1.324 . . . . 0.0 112.044 179.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.17 -17.26 17.48 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 115.61 1.708 . . . . 0.0 115.61 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.54 17.31 0.03 OUTLIER Glycine 0 CA--C 1.535 1.292 0 N-CA-C 116.351 1.3 . . . . 0.0 116.351 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -151.32 150.96 31.12 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.695 1.248 . . . . 0.0 112.559 -169.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -91.03 125.5 35.84 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.708 1.203 . . . . 0.0 107.947 169.083 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -119.58 137.4 53.87 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.779 1.232 . . . . 0.0 111.98 173.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 43.1 t -89.06 111.2 22.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.209 0 C-N-CA 125.72 1.608 . . . . 0.0 108.047 173.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.71 104.48 10.33 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.72 1.208 . . . . 0.0 110.336 173.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -81.46 110.61 17.02 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.666 1.586 . . . . 0.0 109.341 176.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 76.1 mt -81.16 -9.12 59.85 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.932 0.893 . . . . 0.0 112.49 -178.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -86.95 -51.03 6.27 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.475 1.11 . . . . 0.0 111.282 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -97.1 -9.6 27.68 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 126.773 2.029 . . . . 0.0 111.764 -174.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.9 mmt 59.98 59.14 2.51 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.93 2.092 . . . . 0.0 112.167 -178.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 16.7 m -145.19 158.48 13.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -175.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -116.61 134.71 54.5 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 127.056 2.142 . . . . 0.0 110.7 177.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -154.44 156.92 37.64 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.686 1.594 . . . . 0.0 111.952 176.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 79.1 mtt85 -72.1 152.66 42.2 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 121.119 -0.988 . . . . 0.0 110.76 173.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.8 mtp-105 -57.18 -21.65 34.71 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 114.845 1.424 . . . . 0.0 114.845 -172.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -98.09 -4.11 36.51 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.595 1.558 . . . . 0.0 114.799 -177.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -137.36 163.56 30.71 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 119.712 1.142 . . . . 0.0 113.511 -172.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 27.1 p80 -138.76 -23.62 0.94 Allowed 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 173.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -75.6 -15.87 80.99 Favored Glycine 0 N--CA 1.477 1.385 0 C-N-CA 124.385 0.993 . . . . 0.0 114.706 -175.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -94.92 6.71 48.26 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.698 1.599 . . . . 0.0 112.716 177.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -56.51 138.81 51.13 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.634 1.174 . . . . 0.0 113.652 -172.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.3 ttt180 -126.25 137.16 53.49 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.668 1.587 . . . . 0.0 111.54 -171.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 8.7 mmmt -71.05 143.41 50.73 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 115.386 1.625 . . . . 0.0 115.386 -169.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 31.3 pt -132.93 173.04 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 127.087 2.155 . . . . 0.0 110.584 171.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 46.0 pttt -155.39 165.4 36.73 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.422 1.489 . . . . 0.0 112.265 174.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 46.1 mtm105 -102.14 146.06 28.48 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.258 1.423 . . . . 0.0 108.729 167.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.14 179.66 7.46 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.274 1.429 . . . . 0.0 111.608 178.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.8 mm -133.73 137.16 53.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 125.349 1.46 . . . . 0.0 110.358 -170.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.656 HD11 ' HB2' ' A' ' 31' ' ' ALA . 5.3 mp -89.42 143.26 11.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.241 1.016 . . . . 0.0 110.85 173.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -96.72 -28.51 14.26 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.9 mm 74.34 127.59 0.03 OUTLIER Pre-proline 0 N--CA 1.486 1.354 0 C-N-CA 129.07 2.948 . . . . 0.0 112.212 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -79.04 168.78 20.16 Favored 'Trans proline' 0 C--N 1.354 0.818 0 C-N-CA 124.084 3.189 . . . . 0.0 112.082 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -57.41 -31.44 65.86 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -69.32 -24.99 64.0 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.227 1.411 . . . . 0.0 113.197 174.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -89.23 -37.0 7.3 Favored Glycine 0 CA--C 1.533 1.161 0 C-N-CA 125.419 1.485 . . . . 0.0 112.955 173.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.0 t -66.82 -37.88 80.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.191 0.996 . . . . 0.0 111.622 174.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 50.8 m -78.42 124.89 28.62 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 121.528 -0.732 . . . . 0.0 111.735 176.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -79.14 149.91 33.13 Favored Glycine 0 CA--C 1.541 1.713 0 CA-C-O 119.013 -0.882 . . . . 0.0 112.51 177.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -77.56 -18.08 13.94 Favored 'Trans proline' 0 CA--C 1.539 0.733 0 C-N-CA 123.466 2.777 . . . . 0.0 113.058 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.5 p -152.39 20.97 0.64 Allowed 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.496 1.518 . . . . 0.0 111.992 -174.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 75.1 p -160.93 161.93 31.85 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.67 1.588 . . . . 0.0 112.188 -169.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.228 0 C-N-CA 124.967 1.27 . . . . 0.0 112.942 179.493 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ATP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_