data_2k3n_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 2k3n _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 18' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.542 0.661 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.3 p -72.65 -40.14 66.59 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.758 1.163 . . . . 0.0 113.075 -176.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.6 t -74.68 -40.11 61.59 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.071 0.948 . . . . 0.0 111.406 172.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.1 79.91 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 121.392 -0.818 . . . . 0.0 113.206 176.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.432 ' CD2' ' HB2' ' A' ' 119' ' ' ALA . 14.6 t80 -52.34 -59.37 4.49 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.871 1.268 . . . . 0.0 109.641 163.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.62 -18.23 58.58 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -176.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -73.15 -45.54 56.12 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.42 1.088 . . . . 0.0 113.126 169.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.57 -23.16 56.51 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.113 -0.992 . . . . 0.0 113.091 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.98 -49.62 59.86 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.02 0.528 . . . . 0.0 111.401 161.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.6 t -57.47 -30.14 64.82 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 175.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.2 t -59.37 -41.11 88.55 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.166 -0.959 . . . . 0.0 112.737 175.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.09 -35.23 23.87 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 174.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.83 -39.91 86.69 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.447 -0.783 . . . . 0.0 112.168 176.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.0 -24.74 67.59 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.345 1.458 . . . . 0.0 113.728 173.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.91 -10.84 59.75 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.59 1.556 . . . . 0.0 112.677 171.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.8 m -133.94 58.3 1.77 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.31 1.444 . . . . 0.0 112.637 -168.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.68 -26.06 8.44 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -177.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.95 -15.64 9.53 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 172.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -40.66 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 O-C-N 120.274 -1.516 . . . . 0.0 112.915 169.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.9 m -65.91 -30.26 70.82 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.182 -0.948 . . . . 0.0 110.406 175.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -36.41 82.62 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.129 1.372 . . . . 0.0 112.416 170.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.33 -41.02 92.67 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.422 1.01 . . . . 0.0 111.962 171.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -69.96 -34.16 73.03 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 171.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.12 -24.89 65.03 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 119.291 0.95 . . . . 0.0 113.323 172.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.5 m -75.1 -15.76 60.59 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 174.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.6 m -133.21 108.35 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 124.804 1.242 . . . . 0.0 112.207 -176.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.0 p -100.91 31.76 3.45 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.936 1.694 . . . . 0.0 113.665 -171.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.4 m -136.04 128.44 30.29 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.471 1.508 . . . . 0.0 111.523 -176.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.34 -52.43 61.59 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.069 1.348 . . . . 0.0 112.653 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.1 m -66.55 -35.03 79.22 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.026 0.93 . . . . 0.0 112.822 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.73 -31.5 68.36 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.577 -0.702 . . . . 0.0 112.337 175.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.07 -36.57 83.57 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.391 -0.818 . . . . 0.0 111.962 169.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.3 m -58.98 -42.48 90.06 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.021 0.828 . . . . 0.0 111.881 168.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.8 m -64.65 -38.35 90.69 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 118.671 -0.68 . . . . 0.0 112.812 171.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.9 tt -61.89 -46.35 89.78 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.567 1.076 . . . . 0.0 110.623 173.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.07 -47.2 78.42 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 119.727 1.149 . . . . 0.0 112.005 171.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -63.06 -47.4 83.09 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 119.663 1.119 . . . . 0.0 112.559 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -63.09 -57.19 11.44 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.612 1.965 . . . . 0.0 112.821 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.8 mm -71.11 -33.7 52.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 C-N-CA 124.353 1.061 . . . . 0.0 110.631 -177.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.51 -56.73 18.44 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.696 1.141 . . . . 0.0 111.828 168.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.5 -25.95 66.47 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 118.778 1.289 . . . . 0.0 114.06 177.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.5 t -75.45 -49.96 17.26 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.656 -0.653 . . . . 0.0 111.463 173.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.71 -35.97 75.59 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.895 1.278 . . . . 0.0 112.652 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.06 -47.81 3.19 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.262 1.825 . . . . 0.0 112.452 171.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.5 ttt-85 -82.63 -28.13 30.97 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.732 1.613 . . . . 0.0 112.59 -177.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.6 m -65.29 -35.67 81.72 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.584 1.154 . . . . 0.0 113.079 169.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -88.53 -26.72 21.86 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.122 0.969 . . . . 0.0 112.928 173.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.39 -18.27 38.86 Favored Glycine 0 CA--C 1.541 1.658 0 C-N-CA 126.336 1.922 . . . . 0.0 114.316 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.5 mp -77.62 76.35 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 126.905 2.082 . . . . 0.0 110.375 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.13 -6.8 2.18 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 173.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.9 18.73 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 126.931 2.092 . . . . 0.0 114.909 174.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -13.33 10.5 Favored 'General case' 0 C--O 1.221 -0.4 0 O-C-N 120.491 -1.38 . . . . 0.0 114.424 176.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.9 t -46.09 -40.59 11.1 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.847 1.203 . . . . 0.0 113.508 170.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.69 -38.14 16.1 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.861 0.864 . . . . 0.0 112.558 173.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.0 tp -59.68 -57.91 10.87 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-N 118.532 0.606 . . . . 0.0 111.466 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.25 -40.89 71.45 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 127.019 2.128 . . . . 0.0 112.059 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -64.6 -10.86 46.2 Favored Glycine 0 CA--C 1.541 1.714 0 C-N-CA 125.373 1.463 . . . . 0.0 115.233 172.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -115.07 -27.28 7.39 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.951 1.7 . . . . 0.0 112.446 173.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.0 tp -70.5 -41.89 72.03 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 127.365 2.266 . . . . 0.0 110.579 177.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.89 -37.95 74.9 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.839 1.256 . . . . 0.0 111.991 168.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -76.31 -27.32 56.52 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.385 1.074 . . . . 0.0 112.579 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.41 -56.7 4.45 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.008 0.923 . . . . 0.0 111.121 175.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.0 p -65.02 -37.58 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.561 0.744 . . . . 0.0 112.026 177.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -80.11 -28.41 49.61 Favored Glycine 0 CA--C 1.531 1.031 0 C-N-CA 124.907 1.241 . . . . 0.0 113.45 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.67 -22.46 56.96 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 124.972 1.272 . . . . 0.0 113.897 172.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 t -129.36 31.28 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.99 1.716 . . . . 0.0 110.144 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.31 109.77 3.08 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 124.541 1.067 . . . . 0.0 111.72 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 60.53 88.21 0.08 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 127.484 2.314 . . . . 0.0 114.029 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 175.35 -29.66 0.08 OUTLIER Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.613 1.101 . . . . 0.0 114.221 176.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -102.12 -87.42 0.4 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.402 1.081 . . . . 0.0 111.197 176.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.2 t 174.01 173.29 0.18 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 127.163 2.185 . . . . 0.0 110.475 -176.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.07 -24.7 0.69 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.449 1.099 . . . . 0.0 113.452 160.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.83 -49.49 76.1 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 120.154 1.343 . . . . 0.0 112.352 171.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.08 -38.12 85.2 Favored 'General case' 0 C--O 1.224 -0.246 0 O-C-N 121.23 -0.919 . . . . 0.0 111.863 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -63.41 -48.44 77.81 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 119.555 1.07 . . . . 0.0 110.334 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.3 -40.1 86.02 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.92 1.288 . . . . 0.0 113.25 177.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -68.31 -41.91 80.2 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 119.556 1.071 . . . . 0.0 111.044 175.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.92 88.6 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.567 0.747 . . . . 0.0 111.707 175.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.0 mt -64.06 -49.69 80.39 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 CA-C-O 118.535 -0.745 . . . . 0.0 111.007 172.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.82 -41.05 79.14 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 120.392 1.451 . . . . 0.0 113.21 -178.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -63.89 -40.28 96.14 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 117.916 -1.04 . . . . 0.0 111.35 174.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -82.93 -32.82 27.01 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.815 1.189 . . . . 0.0 113.111 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -52.9 -46.05 67.84 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.681 1.192 . . . . 0.0 110.395 162.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -71.09 -38.27 63.71 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-O 117.835 -1.536 . . . . 0.0 113.844 176.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -54.71 -42.91 72.08 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 120.538 2.169 . . . . 0.0 112.459 -177.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -75.95 -43.71 43.5 Favored 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 174.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.6 tp -61.75 -39.1 90.42 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 120.676 -1.265 . . . . 0.0 111.74 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.735 0 C-N-CA 128.961 2.904 . . . . 0.0 115.06 170.614 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 120.922 0.392 . . . . 0.0 111.781 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.06 128.63 34.13 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.281 1.032 . . . . 0.0 111.246 175.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -139.79 34.42 1.99 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.59 1.156 . . . . 0.0 112.133 -174.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 44.23 48.91 7.84 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.786 2.034 . . . . 0.0 114.537 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -171.9 -35.99 0.03 OUTLIER Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.087 1.327 . . . . 0.0 112.834 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -108.43 12.83 25.95 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.731 1.612 . . . . 0.0 112.359 168.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.29 -52.55 64.89 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.184 0.902 . . . . 0.0 110.328 175.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 69.5 m -63.59 -38.09 89.81 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.55 -49.65 68.09 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.559 0.744 . . . . 0.0 111.824 177.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.8 mp -63.43 -35.71 81.34 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 117.665 -1.159 . . . . 0.0 111.488 173.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.432 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . . . -65.88 -47.38 75.06 Favored 'General case' 0 N--CA 1.457 -0.103 0 CA-C-N 119.758 1.163 . . . . 0.0 112.638 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -56.13 -49.98 64.52 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 174.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.7 m -59.12 -43.5 91.95 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 173.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -49.86 75.52 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 120.1 1.318 . . . . 0.0 110.653 177.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.49 -48.04 82.87 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 124.053 0.941 . . . . 0.0 110.661 -177.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.77 -31.1 71.27 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 118.411 -0.804 . . . . 0.0 112.981 172.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -81.56 -43.98 17.94 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.867 1.212 . . . . 0.0 112.487 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.0 tt -67.86 -39.13 83.79 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.883 1.273 . . . . 0.0 109.934 173.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.9 p -66.31 -48.36 70.61 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 117.285 -1.34 . . . . 0.0 111.986 169.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -56.51 -39.55 73.51 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 121.687 2.039 . . . . 0.0 111.619 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 40.7 t -59.9 -54.17 49.32 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 117.928 -1.034 . . . . 0.0 111.749 169.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.49 -45.1 85.27 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 120.886 1.675 . . . . 0.0 113.907 177.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -62.01 -44.59 96.39 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.308 2.243 . . . . 0.0 111.925 178.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 72.7 m -76.85 -28.28 55.41 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.908 0.883 . . . . 0.0 112.44 174.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -70.84 -17.51 62.74 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-O 116.943 -1.503 . . . . 0.0 112.237 171.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 56.7 m -54.72 -32.96 60.42 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 122.246 2.294 . . . . 0.0 112.39 164.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.79 -24.37 61.73 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.897 1.279 . . . . 0.0 114.05 173.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -106.5 -13.09 15.43 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.917 1.687 . . . . 0.0 113.907 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -81.99 -35.88 28.48 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.644 2.378 . . . . 0.0 110.669 171.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.67 21.34 17.07 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.939 1.296 . . . . 0.0 112.122 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.96 15.37 0.16 Allowed 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 174.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -53.89 -24.95 17.77 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.32 1.448 . . . . 0.0 113.359 173.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -80.69 -37.23 31.14 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.286 1.434 . . . . 0.0 113.277 171.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -72.02 -39.23 69.32 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.862 0.755 . . . . 0.0 111.881 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.99 -34.72 78.14 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 121.426 -0.797 . . . . 0.0 112.155 174.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -71.35 28.94 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 126.218 1.807 . . . . 0.0 114.153 173.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.66 -39.75 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 127.128 2.171 . . . . 0.0 111.715 170.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.99 -40.82 12.1 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 N--CA 1.475 0.815 0 C-N-CA 123.809 0.843 . . . . 0.0 112.011 177.181 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.3 p90 . . . . . 0 CA--C 1.534 0.344 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.1 p -64.39 -38.71 91.98 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.171 1.389 . . . . 0.0 113.091 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 t -83.53 -37.71 22.68 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.018 0.927 . . . . 0.0 111.706 176.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.62 -35.17 79.62 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.479 -0.763 . . . . 0.0 112.514 173.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.436 ' CE2' ' HA ' ' A' ' 119' ' ' ALA . 4.2 t80 -54.43 -59.45 4.66 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.208 1.003 . . . . 0.0 109.824 164.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.22 -18.73 63.84 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 120.759 -1.213 . . . . 0.0 113.682 -176.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -76.1 -52.32 10.38 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.561 1.144 . . . . 0.0 112.533 169.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.71 -27.42 68.32 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.83 0.852 . . . . 0.0 112.99 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.67 -41.75 61.62 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.987 1.315 . . . . 0.0 111.763 168.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.2 t -56.32 -30.16 62.2 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 176.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.4 t -57.42 -40.25 77.94 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.243 -0.91 . . . . 0.0 112.385 175.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.97 -33.32 15.61 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.822 0.849 . . . . 0.0 112.752 177.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.12 -41.82 89.13 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.859 0.864 . . . . 0.0 111.276 174.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.13 -25.85 64.59 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.82 1.248 . . . . 0.0 114.023 173.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.33 -16.14 62.96 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.977 1.311 . . . . 0.0 113.154 173.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.3 m -125.39 66.51 1.15 Allowed 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.162 1.385 . . . . 0.0 111.848 -171.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 76.5 p -49.74 -28.94 6.78 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.76 -15.97 55.74 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 173.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 tt -63.95 -36.81 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 120.295 1.407 . . . . 0.0 111.631 171.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.7 m -69.09 -31.09 69.57 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.148 -0.97 . . . . 0.0 111.075 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.34 -31.9 73.18 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.753 0.821 . . . . 0.0 112.853 170.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.02 -50.26 73.28 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.65 0.659 . . . . 0.0 110.672 173.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -67.47 -37.99 83.75 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 173.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.76 -25.86 67.72 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 119.431 1.014 . . . . 0.0 113.305 173.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.0 t -75.87 -14.8 60.28 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.148 1.379 . . . . 0.0 113.988 174.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.7 p -136.23 97.5 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 CA-C-O 122.649 1.214 . . . . 0.0 112.13 -176.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.4 m -91.51 44.43 1.18 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.712 1.605 . . . . 0.0 112.798 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.78 134.56 22.35 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.32 1.048 . . . . 0.0 111.313 177.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.57 -51.98 67.58 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.972 0.909 . . . . 0.0 112.433 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.4 m -65.02 -35.53 81.49 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.416 1.086 . . . . 0.0 113.083 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.49 -28.67 56.55 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.206 -0.934 . . . . 0.0 112.27 175.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.98 -35.25 80.59 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.929 1.24 . . . . 0.0 111.15 167.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.9 m -60.24 -42.28 94.9 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.926 0.785 . . . . 0.0 112.417 167.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.3 t -63.77 -39.74 94.99 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.324 0.649 . . . . 0.0 112.708 173.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.54 -50.16 73.78 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 121.31 -0.869 . . . . 0.0 110.652 172.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.06 73.62 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.848 1.204 . . . . 0.0 112.895 174.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -65.1 -56.0 15.51 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.297 -0.877 . . . . 0.0 111.919 173.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -64.01 -51.11 65.76 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.519 1.054 . . . . 0.0 112.919 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 45.7 mm -71.38 -38.69 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 124.237 1.015 . . . . 0.0 110.469 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.59 -34.94 91.29 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 124.285 0.945 . . . . 0.0 113.365 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 tp -54.18 -50.96 65.83 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.186 0.993 . . . . 0.0 110.762 170.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.7 t -74.86 -30.77 61.44 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.901 0.88 . . . . 0.0 113.356 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.57 -50.29 74.11 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.784 1.175 . . . . 0.0 111.389 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.64 -49.44 76.45 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.626 1.171 . . . . 0.0 112.071 169.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.59 -33.94 76.72 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.3 t -63.44 -35.62 81.04 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.701 1.6 . . . . 0.0 112.363 173.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.4 -7.75 58.19 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.602 1.161 . . . . 0.0 113.068 172.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.12 14.68 78.71 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 125.23 1.395 . . . . 0.0 114.854 -177.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 17.4 mm -75.51 113.51 14.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 125.271 1.428 . . . . 0.0 110.803 -177.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.57 -13.91 59.99 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 177.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -70.2 7.74 0.93 Allowed 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 125.585 1.554 . . . . 0.0 113.725 171.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -44.15 -52.77 7.04 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 120.913 1.688 . . . . 0.0 114.676 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.1 t -69.01 -38.7 79.37 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.345 1.058 . . . . 0.0 113.331 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.14 -44.27 65.89 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.206 1.002 . . . . 0.0 112.294 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.8 tp -62.99 -51.31 67.35 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-O 117.32 -1.324 . . . . 0.0 109.617 170.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.59 -38.39 66.67 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 121.254 1.843 . . . . 0.0 112.669 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -71.45 -0.62 39.5 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 125.498 1.523 . . . . 0.0 116.321 172.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.69 -28.85 2.94 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.616 1.966 . . . . 0.0 112.642 177.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.3 tp -64.66 -39.24 93.35 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 127.373 2.269 . . . . 0.0 110.15 171.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.16 -33.29 67.27 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.794 1.238 . . . . 0.0 113.274 167.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -38.54 52.65 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.958 1.254 . . . . 0.0 112.124 172.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.58 -49.72 72.26 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.204 0.911 . . . . 0.0 111.699 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.3 p -73.34 -40.11 56.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-N 118.506 0.594 . . . . 0.0 112.416 176.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -74.59 -28.31 63.6 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.041 0.829 . . . . 0.0 113.501 -174.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.57 -26.97 65.34 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.352 1.453 . . . . 0.0 113.801 173.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.5 t -136.27 36.48 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 125.779 1.632 . . . . 0.0 110.183 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.63 135.46 25.06 Favored Glycine 0 CA--C 1.533 1.217 0 O-C-N 120.47 -1.394 . . . . 0.0 111.669 177.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 47.78 83.13 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.1 1.76 . . . . 0.0 115.23 -176.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -178.64 -38.91 0.06 OUTLIER Glycine 0 CA--C 1.531 1.075 0 N-CA-C 115.154 0.822 . . . . 0.0 115.154 170.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.16 -74.81 0.44 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.727 0.811 . . . . 0.0 112.02 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.8 t 161.36 168.1 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 128.279 2.632 . . . . 0.0 110.078 -176.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.28 -22.39 0.4 Allowed 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 161.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -61.37 -50.63 72.12 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 120.638 1.563 . . . . 0.0 112.03 169.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.16 -38.34 82.0 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 118.31 -0.852 . . . . 0.0 112.378 173.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -68.54 -42.46 78.39 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.885 1.22 . . . . 0.0 110.784 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.12 -40.34 82.52 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.987 0.915 . . . . 0.0 112.519 172.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -64.21 -38.67 91.9 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 120.102 1.319 . . . . 0.0 111.231 173.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.24 -47.59 76.25 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.061 0.945 . . . . 0.0 112.036 172.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.6 -42.41 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.388 0.675 . . . . 0.0 110.917 177.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.64 -41.87 30.31 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.793 1.237 . . . . 0.0 113.086 -176.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 28.2 ptt180 -62.75 -39.18 93.34 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.785 1.175 . . . . 0.0 111.038 173.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -80.07 -34.26 38.27 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.017 0.826 . . . . 0.0 112.615 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.6 -50.8 67.19 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.084 0.856 . . . . 0.0 110.395 162.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.63 -40.58 98.13 Favored Glycine 0 C--N 1.339 0.739 0 CA-C-O 117.992 -1.449 . . . . 0.0 112.724 176.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -54.88 -45.32 74.62 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.761 1.78 . . . . 0.0 112.72 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -70.91 -47.4 59.34 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.688 0.676 . . . . 0.0 110.794 178.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.8 mp -62.52 -36.51 82.79 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 120.932 -1.105 . . . . 0.0 112.871 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.516 0 C-N-CA 127.344 2.258 . . . . 0.0 114.606 172.276 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 24.0 t . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 120.403 0.144 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.73 142.47 35.41 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.596 -0.69 . . . . 0.0 111.58 174.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -145.28 37.25 1.12 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.775 1.23 . . . . 0.0 112.674 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 48.23 33.56 3.81 Favored 'General case' 0 CA--C 1.559 1.289 0 N-CA-C 115.556 1.688 . . . . 0.0 115.556 175.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -166.23 -43.42 0.02 OUTLIER Glycine 0 N--CA 1.474 1.232 0 C-N-CA 125.505 1.526 . . . . 0.0 112.409 -178.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -84.52 8.31 17.02 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 167.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.42 -44.97 89.29 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.796 1.18 . . . . 0.0 112.578 -177.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 51.8 p -70.24 -39.19 75.18 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 177.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.15 -52.24 63.26 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.82 0.848 . . . . 0.0 111.425 176.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -67.49 -29.64 69.12 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-O 117.963 -1.018 . . . . 0.0 111.902 176.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.436 ' HA ' ' CE2' ' A' ' 22' ' ' PHE . . . -67.52 -51.4 51.43 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 120.374 1.443 . . . . 0.0 114.0 174.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -52.32 -49.33 51.47 Favored Glycine 0 C--N 1.338 0.691 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 173.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 63.2 m -58.67 -46.98 86.01 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 173.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -66.84 -41.23 87.75 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 121.668 2.031 . . . . 0.0 111.868 -177.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.83 -57.06 14.54 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.871 1.269 . . . . 0.0 111.02 173.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -32.37 69.6 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 117.666 -1.159 . . . . 0.0 112.044 175.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.92 -44.71 60.9 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 120.48 1.491 . . . . 0.0 113.235 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.6 -42.52 99.62 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.616 -0.677 . . . . 0.0 109.659 171.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.7 m -62.68 -31.71 72.65 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 169.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.49 -43.74 59.48 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 121.184 1.811 . . . . 0.0 111.116 -176.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 44.0 t -57.51 -50.03 74.4 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.366 165.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.07 -44.69 87.67 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 120.144 1.338 . . . . 0.0 114.21 177.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -61.03 -42.73 99.03 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.66 1.984 . . . . 0.0 112.05 176.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 74.2 m -74.97 -34.35 62.01 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.544 0.738 . . . . 0.0 112.424 175.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -72.38 -22.83 61.08 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.155 0.982 . . . . 0.0 112.177 174.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 73.3 m -58.47 -13.86 6.51 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 120.877 1.672 . . . . 0.0 113.415 163.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -99.35 -6.94 26.97 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.428 1.491 . . . . 0.0 114.209 170.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -115.82 -22.55 9.04 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.378 1.471 . . . . 0.0 113.623 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -108.64 -35.33 6.46 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 127.932 2.493 . . . . 0.0 111.116 174.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.06 34.3 4.54 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.362 1.465 . . . . 0.0 111.572 178.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -51.98 -18.16 1.27 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.532 1.133 . . . . 0.0 113.783 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -45.45 -29.62 1.16 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.972 1.309 . . . . 0.0 113.576 167.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -60.14 -23.78 64.19 Favored 'General case' 0 CA--C 1.55 0.971 0 O-C-N 120.816 -1.177 . . . . 0.0 113.795 173.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -77.78 -23.94 49.02 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.397 1.079 . . . . 0.0 113.707 175.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.72 -25.86 12.97 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.215 1.006 . . . . 0.0 112.83 177.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -71.97 34.8 0.06 Allowed 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 126.502 1.921 . . . . 0.0 113.351 170.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.5 t -150.26 -48.84 0.13 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.038 1.335 . . . . 0.0 111.023 167.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.88 -41.95 34.99 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 2.7 t80 . . . . . 0 N--CA 1.471 0.579 0 O-C-N 121.451 -0.78 . . . . 0.0 111.574 -177.247 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.6 p90 . . . . . 0 CA--C 1.553 1.074 0 N-CA-C 115.532 1.679 . . . . 0.0 115.532 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 t -67.33 -37.26 83.0 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.424 1.09 . . . . 0.0 113.437 -176.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 t -84.43 -34.15 23.54 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 121.567 -0.708 . . . . 0.0 111.908 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.49 -33.15 74.52 Favored 'General case' 0 CA--C 1.559 1.308 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -47.48 -53.32 14.53 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.3 1.44 . . . . 0.0 109.562 165.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.82 -16.64 59.12 Favored 'General case' 0 CA--C 1.562 1.412 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -176.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -78.14 -42.82 30.58 Favored 'General case' 0 CA--C 1.558 1.267 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 170.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.9 -31.69 66.65 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.33 -45.36 54.83 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 126.387 1.875 . . . . 0.0 111.383 166.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.49 -27.14 46.73 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 173.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.3 t -60.4 -39.49 87.54 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.203 -0.936 . . . . 0.0 113.487 174.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.33 -29.15 15.78 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 175.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.18 -41.17 92.33 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.444 1.098 . . . . 0.0 111.753 173.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.18 -25.5 68.11 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 172.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 m -73.0 -9.44 58.73 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 126.315 1.846 . . . . 0.0 113.373 170.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.5 t -130.17 70.08 1.44 Allowed 'General case' 0 CA--C 1.533 0.321 0 O-C-N 120.29 -1.506 . . . . 0.0 110.642 -175.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.3 t -53.34 -27.32 22.86 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 174.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.57 -15.68 40.97 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 170.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.4 tt -67.44 -39.01 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 O-C-N 120.815 -1.178 . . . . 0.0 111.233 167.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.2 m -66.6 -32.89 74.51 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.78 0.832 . . . . 0.0 111.651 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -35.39 70.67 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.839 1.656 . . . . 0.0 111.829 168.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.51 -46.54 86.53 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 119.16 0.891 . . . . 0.0 110.382 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -70.05 -34.16 72.87 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 174.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.83 -32.3 71.69 Favored 'General case' 0 CA--C 1.56 1.329 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 171.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.53 -16.96 61.77 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 125.839 1.656 . . . . 0.0 115.075 173.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -140.17 102.11 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 CA-C-O 122.698 1.237 . . . . 0.0 111.506 -175.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.9 p -92.45 27.85 2.15 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 127.724 2.409 . . . . 0.0 114.837 -174.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 m -136.78 136.86 39.25 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.498 1.119 . . . . 0.0 112.191 -175.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.87 -50.98 71.98 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.8 t -69.07 -37.22 78.37 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.72 -0.613 . . . . 0.0 112.375 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.26 -30.63 66.54 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 174.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.61 -36.41 83.64 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.476 1.034 . . . . 0.0 110.906 169.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -42.51 94.65 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-O 118.386 -0.816 . . . . 0.0 111.71 166.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 64.5 m -64.62 -39.13 93.16 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 173.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 tp -56.13 -56.51 19.98 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.182 1.393 . . . . 0.0 109.143 169.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.76 -27.29 68.19 Favored 'General case' 0 CA--C 1.556 1.208 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -63.63 -59.08 5.06 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 125.757 1.623 . . . . 0.0 112.082 164.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -54.99 -46.6 75.16 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.024 0.929 . . . . 0.0 111.356 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.0 mp -80.69 -39.73 18.5 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.266 0 CA-C-O 118.157 -0.925 . . . . 0.0 112.404 -178.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.31 -35.49 78.84 Favored Glycine 0 N--CA 1.483 1.79 0 C-N-CA 124.53 1.062 . . . . 0.0 113.537 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.14 -55.73 31.17 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.085 1.354 . . . . 0.0 111.761 171.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.6 t -64.74 -33.18 75.37 Favored 'General case' 0 CA--C 1.561 1.398 0 C-N-CA 124.191 0.996 . . . . 0.0 113.169 176.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.96 -51.79 65.53 Favored 'General case' 0 C--O 1.255 1.355 0 C-N-CA 123.934 0.894 . . . . 0.0 112.355 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.1 -47.98 79.74 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.583 171.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -56.05 -45.42 79.23 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 120.814 -1.179 . . . . 0.0 112.056 176.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.4 t -61.02 -36.57 79.86 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.692 1.197 . . . . 0.0 112.431 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -78.3 -20.05 52.32 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.782 1.233 . . . . 0.0 113.081 171.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.09 6.24 45.72 Favored Glycine 0 CA--C 1.555 2.573 0 C-N-CA 125.687 1.613 . . . . 0.0 114.459 178.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.4 mt -76.01 106.33 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 127.753 2.421 . . . . 0.0 109.137 -176.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.1 -9.04 35.36 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.391 1.077 . . . . 0.0 113.846 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.4 m -67.35 -1.89 5.35 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.572 1.149 . . . . 0.0 113.96 167.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.9 p30 -38.93 -50.89 1.77 Allowed 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 -178.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.4 t -61.47 -34.63 75.77 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.913 1.285 . . . . 0.0 114.022 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.27 -42.49 23.03 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.882 0.873 . . . . 0.0 112.362 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.2 tp -60.16 -46.3 90.17 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 124.751 1.22 . . . . 0.0 111.105 174.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.32 -40.48 74.47 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.496 0.718 . . . . 0.0 111.788 176.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.63 10.32 56.41 Favored Glycine 0 CA--C 1.56 2.859 0 C-N-CA 125.91 1.719 . . . . 0.0 115.939 173.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -130.16 -34.16 1.67 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.286 1.434 . . . . 0.0 112.39 -178.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.44 -40.37 90.85 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.511 1.124 . . . . 0.0 110.417 167.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.15 -35.95 65.27 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.026 0.93 . . . . 0.0 113.414 172.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -70.42 -42.87 71.03 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.247 1.019 . . . . 0.0 111.982 174.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.33 -43.52 85.89 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 174.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.5 t -72.37 -50.46 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.938 1.695 . . . . 0.0 111.254 -178.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.2 -35.96 86.68 Favored Glycine 0 CA--C 1.544 1.896 0 C-N-CA 124.068 0.842 . . . . 0.0 112.139 174.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.95 -21.0 22.21 Favored Glycine 0 CA--C 1.546 2.026 0 C-N-CA 125.377 1.465 . . . . 0.0 116.083 173.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.2 t -131.81 15.61 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 C-N-CA 125.238 1.415 . . . . 0.0 110.282 176.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.03 128.16 45.62 Favored Glycine 0 CA--C 1.538 1.5 0 O-C-N 120.981 -1.074 . . . . 0.0 111.321 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 48.31 88.4 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 126.967 2.107 . . . . 0.0 115.032 -176.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 179.77 -34.8 0.07 OUTLIER Glycine 0 N--CA 1.479 1.553 0 CA-C-O 119.144 -0.809 . . . . 0.0 114.572 170.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.6 -98.35 0.14 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.134 0.974 . . . . 0.0 110.314 171.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 91.4 p -174.68 -178.07 1.26 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 125.675 1.59 . . . . 0.0 111.185 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.0 -29.38 0.82 Allowed 'General case' 0 CA--C 1.543 0.675 0 CA-C-O 117.408 -1.282 . . . . 0.0 114.22 161.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.5 t -62.35 -49.44 75.58 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.846 1.203 . . . . 0.0 111.747 174.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.66 -35.93 75.59 Favored 'General case' 0 CA--C 1.553 1.069 0 O-C-N 121.727 -0.608 . . . . 0.0 112.416 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -65.67 -51.03 62.66 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 118.563 0.619 . . . . 0.0 109.5 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.04 -43.31 81.84 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.918 1.287 . . . . 0.0 113.623 172.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -70.04 -39.53 75.69 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 117.717 -1.135 . . . . 0.0 112.333 177.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.13 96.8 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 124.154 0.909 . . . . 0.0 112.364 172.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 33.0 mt -61.86 -56.9 14.75 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.065 0 C-N-CA 124.496 1.119 . . . . 0.0 111.689 173.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.46 -40.96 89.7 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.338 0.655 . . . . 0.0 112.379 -177.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -64.03 -45.21 89.9 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-O 116.456 -1.735 . . . . 0.0 110.749 174.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.76 -37.29 81.9 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 121.279 1.854 . . . . 0.0 111.937 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.37 -49.28 76.69 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 169.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -68.69 -37.13 84.23 Favored Glycine 0 CA--C 1.54 1.605 0 CA-C-O 119.279 -0.734 . . . . 0.0 113.225 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -56.19 -45.16 79.89 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.62 1.568 . . . . 0.0 111.36 175.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -63.3 -39.92 95.91 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 118.322 0.51 . . . . 0.0 111.187 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.1 mp -71.14 -39.22 72.12 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.69 1.196 . . . . 0.0 111.771 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.553 1.084 0 C-N-CA 124.31 1.044 . . . . 0.0 113.257 170.276 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.5 t . . . . . 0 N--CA 1.497 1.911 0 CA-C-O 121.531 0.682 . . . . 0.0 109.92 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.8 mp -66.97 140.08 57.72 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.724 171.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -144.94 22.28 1.58 Allowed 'General case' 0 CA--C 1.562 1.408 0 C-N-CA 126.783 2.033 . . . . 0.0 112.134 -172.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 53.56 43.38 31.3 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 125.685 1.594 . . . . 0.0 113.481 174.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -163.37 -40.65 0.02 OUTLIER Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.276 0.941 . . . . 0.0 113.073 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.6 10.76 29.06 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.237 1.415 . . . . 0.0 112.155 167.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.4 -49.66 76.69 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 120.935 1.698 . . . . 0.0 111.051 178.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 54.4 p -65.76 -37.53 86.61 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 176.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.85 -53.79 45.12 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.839 0.855 . . . . 0.0 111.543 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.6 mp -62.09 -35.88 80.02 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 116.811 -1.566 . . . . 0.0 111.991 172.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.77 -52.77 61.9 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 119.089 0.859 . . . . 0.0 113.045 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.89 -47.39 65.88 Favored Glycine 0 CA--C 1.56 2.875 0 O-C-N 125.073 1.483 . . . . 0.0 111.795 173.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 71.7 m -62.0 -43.69 98.3 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 116.294 -1.812 . . . . 0.0 115.457 173.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.41 -47.03 80.71 Favored 'General case' 0 CA--C 1.502 -0.889 0 O-C-N 124.39 1.056 . . . . 0.0 110.765 178.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -52.88 -55.18 25.09 Favored 'General case' 0 C--O 1.247 0.953 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 173.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -64.64 -29.62 70.63 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 126.573 2.421 . . . . 0.0 111.338 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -79.97 -45.41 18.52 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.767 1.167 . . . . 0.0 111.96 -176.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.6 tt -61.25 -46.81 88.87 Favored 'General case' 0 CA--C 1.555 1.142 0 O-C-N 124.731 1.269 . . . . 0.0 109.408 171.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 22.2 p -70.17 -32.96 71.15 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-O 118.126 -0.94 . . . . 0.0 113.536 174.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.24 -40.56 90.33 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 121.078 1.763 . . . . 0.0 112.21 173.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.9 t -59.33 -47.5 85.16 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 116.179 -1.867 . . . . 0.0 110.296 168.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.65 -41.78 95.65 Favored 'General case' 0 CA--C 1.563 1.47 0 CA-C-N 120.784 1.629 . . . . 0.0 114.382 175.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -56.23 -49.71 73.34 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 125.816 1.646 . . . . 0.0 111.121 170.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.1 t -71.86 -27.25 62.75 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.459 1.104 . . . . 0.0 111.829 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -66.74 -36.17 81.83 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 120.459 1.481 . . . . 0.0 112.29 172.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.6 t -60.03 -16.77 33.81 Favored 'General case' 0 CA--C 1.56 1.344 0 CA-C-N 119.47 1.032 . . . . 0.0 113.143 167.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -99.9 -7.58 25.09 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 126.242 1.817 . . . . 0.0 115.203 171.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -116.36 -22.37 8.83 Favored 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 124.445 1.098 . . . . 0.0 113.522 -177.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.19 -16.53 12.55 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 126.852 2.061 . . . . 0.0 112.381 173.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.3 m -131.49 31.7 4.28 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.389 2.276 . . . . 0.0 110.862 -177.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -11.29 0.41 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.623 1.169 . . . . 0.0 113.884 174.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -47.19 -37.28 9.91 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 124.853 1.261 . . . . 0.0 112.613 162.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -58.8 -33.55 70.48 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 125.425 1.49 . . . . 0.0 114.234 174.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -68.95 -50.32 50.2 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.387 0.675 . . . . 0.0 111.141 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -69.34 -41.21 76.93 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 118.522 -0.751 . . . . 0.0 111.451 174.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -74.89 34.26 0.1 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.182 1.793 . . . . 0.0 113.38 172.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 15.3 t -147.4 -47.69 0.17 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.402 1.481 . . . . 0.0 110.515 166.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.18 -46.81 22.08 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 177.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 18.0 t80 . . . . . 0 N--CA 1.479 1.003 0 O-C-N 121.627 -0.671 . . . . 0.0 112.468 -177.096 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 51.8 p90 . . . . . 0 CA--C 1.535 0.381 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.5 p -55.6 -36.22 66.68 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.759 1.223 . . . . 0.0 113.95 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.9 m -93.21 -30.71 15.06 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.48 0.712 . . . . 0.0 112.838 171.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.18 -43.41 98.89 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 120.016 1.28 . . . . 0.0 112.11 177.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -48.55 79.94 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.412 0.685 . . . . 0.0 110.281 172.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.89 -22.42 64.18 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -175.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.71 -35.71 22.34 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.489 1.116 . . . . 0.0 111.725 172.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.18 -29.03 66.94 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.226 -0.921 . . . . 0.0 113.18 170.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.35 -49.77 63.65 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.122 0.969 . . . . 0.0 111.439 165.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.9 m -58.68 -25.24 62.63 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 175.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.0 t -60.4 -43.31 96.79 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.706 1.139 . . . . 0.0 111.913 172.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.02 -34.59 26.25 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 176.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.79 -39.99 90.92 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.593 0.757 . . . . 0.0 111.538 175.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.97 -17.13 64.47 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.09 1.356 . . . . 0.0 114.13 171.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.99 -9.12 59.67 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.443 1.497 . . . . 0.0 112.694 172.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.8 t -124.66 73.8 1.29 Allowed 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.581 1.552 . . . . 0.0 111.122 -177.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.7 m -55.36 -29.38 58.27 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.751 -1.218 . . . . 0.0 113.588 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.2 -9.84 49.95 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 173.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.2 tt -66.0 -40.61 87.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 CA-C-N 120.717 1.598 . . . . 0.0 111.678 166.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.0 m -62.75 -28.65 70.12 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 121.638 -0.663 . . . . 0.0 111.615 176.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -30.08 70.3 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.08 0.952 . . . . 0.0 113.421 173.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.26 -50.76 72.36 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.024 0.829 . . . . 0.0 110.705 170.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -69.91 -30.95 68.49 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.586 -0.696 . . . . 0.0 112.65 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.03 -29.94 70.88 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 121.312 -0.867 . . . . 0.0 112.955 172.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -20.22 35.52 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.467 1.107 . . . . 0.0 113.551 171.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.4 t -114.91 83.24 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.9 1.68 . . . . 0.0 110.744 -171.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.7 m -91.72 32.56 1.09 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.877 1.671 . . . . 0.0 113.749 -175.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.44 140.47 31.96 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.374 1.47 . . . . 0.0 111.664 -176.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.98 -59.16 5.47 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.663 1.185 . . . . 0.0 112.678 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.9 t -64.11 -34.06 77.2 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.577 0.751 . . . . 0.0 112.487 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.58 -34.61 74.39 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.009 -1.057 . . . . 0.0 112.637 175.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.37 96.75 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.326 0.966 . . . . 0.0 110.66 169.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.8 m -58.78 -42.65 89.52 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.582 0.753 . . . . 0.0 112.162 170.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.6 m -65.47 -40.72 93.49 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.338 1.055 . . . . 0.0 112.683 176.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 tt -62.73 -49.5 74.8 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 118.738 0.699 . . . . 0.0 110.036 173.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.82 -37.58 84.98 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.172 -0.955 . . . . 0.0 113.09 176.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -60.13 -57.45 12.78 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.47 -1.394 . . . . 0.0 111.397 171.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -59.21 -51.52 69.64 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.555 1.07 . . . . 0.0 112.761 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 25.8 mm -73.71 -36.78 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 124.4 1.08 . . . . 0.0 111.218 -175.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.23 -34.33 87.8 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 125.031 1.3 . . . . 0.0 113.252 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.97 -49.48 76.66 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.057 0.943 . . . . 0.0 110.108 168.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 t -66.59 -34.85 78.8 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 175.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.23 -52.01 51.95 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.949 1.3 . . . . 0.0 111.705 178.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.77 -46.4 70.97 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.404 0.682 . . . . 0.0 110.971 170.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -60.25 -38.54 83.77 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.5 t -62.97 -33.53 75.58 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.326 1.451 . . . . 0.0 112.701 177.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -85.75 -7.56 58.69 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.832 1.253 . . . . 0.0 113.127 171.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.12 10.17 84.19 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 125.495 1.521 . . . . 0.0 114.515 -176.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.1 mm -72.76 103.63 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 C-N-CA 126.098 1.759 . . . . 0.0 110.159 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.83 -14.44 33.31 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 178.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.7 p -66.81 -2.27 4.89 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 170.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -31.68 -56.87 0.28 Allowed 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 116.01 1.856 . . . . 0.0 116.01 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.6 t -61.4 -41.17 96.72 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.648 1.579 . . . . 0.0 114.018 176.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.3 -44.23 59.5 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.207 1.403 . . . . 0.0 112.035 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.6 tp -63.08 -46.44 87.41 Favored 'General case' 0 C--O 1.22 -0.478 0 C-N-CA 123.941 0.897 . . . . 0.0 110.806 173.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.57 -40.83 72.46 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.95 1.25 . . . . 0.0 111.712 176.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -70.78 -4.41 53.81 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 125.447 1.499 . . . . 0.0 115.897 172.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -119.02 -22.53 7.21 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.71 2.004 . . . . 0.0 112.881 177.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.5 tp -73.43 -36.54 65.96 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.923 1.689 . . . . 0.0 110.622 176.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.83 -24.69 62.35 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 165.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -43.22 36.04 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.281 1.4 . . . . 0.0 111.787 170.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.02 -35.77 81.34 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.124 0.874 . . . . 0.0 112.39 176.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 64.3 t -89.71 -35.26 7.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.805 1.242 . . . . 0.0 112.747 -178.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -77.65 -32.3 46.74 Favored Glycine 0 N--CA 1.47 0.939 0 CA-C-N 119.249 0.931 . . . . 0.0 113.027 176.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -64.31 -20.24 65.1 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.788 1.185 . . . . 0.0 113.819 169.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.8 t -136.95 53.86 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.952 1.701 . . . . 0.0 109.828 176.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.46 117.91 6.02 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 121.249 -0.907 . . . . 0.0 111.184 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 56.21 112.24 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 127.243 2.217 . . . . 0.0 115.092 -169.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 164.08 -37.94 0.31 Allowed Glycine 0 N--CA 1.473 1.121 0 O-C-N 121.192 -0.943 . . . . 0.0 114.328 171.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -101.26 -75.27 0.59 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.289 1.036 . . . . 0.0 110.707 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.6 p 169.92 179.97 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 127.511 2.324 . . . . 0.0 111.499 177.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.39 -31.19 1.57 Allowed 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 162.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.2 m -66.91 -32.58 73.93 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.809 1.64 . . . . 0.0 113.553 175.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.62 -47.41 69.73 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 119.235 0.925 . . . . 0.0 111.42 171.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.65 -46.68 74.93 Favored 'General case' 0 C--O 1.221 -0.442 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -178.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.4 -53.46 44.79 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.387 1.475 . . . . 0.0 113.542 172.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -68.62 -38.51 80.61 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.11 -0.947 . . . . 0.0 111.681 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.92 -37.9 89.18 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.86 1.209 . . . . 0.0 112.672 174.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.3 mt -64.62 -54.48 29.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 126.091 1.756 . . . . 0.0 110.353 174.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.16 -49.22 77.76 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.311 0.644 . . . . 0.0 110.92 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.1 mtt-85 -54.62 -56.88 14.46 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.834 1.253 . . . . 0.0 111.473 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.21 81.19 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 120.381 1.446 . . . . 0.0 113.47 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.11 -47.61 82.72 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.557 -0.714 . . . . 0.0 112.5 171.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -84.01 -23.26 52.88 Favored Glycine 0 CA--C 1.532 1.113 0 N-CA-C 115.141 0.816 . . . . 0.0 115.141 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -53.52 -40.18 65.24 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.988 1.394 . . . . 0.0 109.833 163.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.15 -34.42 68.49 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 175.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.41 -39.62 94.2 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 120.941 -1.099 . . . . 0.0 111.528 172.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.75 0 C-N-CA 125.467 1.507 . . . . 0.0 111.758 174.571 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.483 1.201 0 CA-C-O 121.048 0.451 . . . . 0.0 111.954 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 17.4 tp -100.61 123.0 44.23 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.141 1.776 . . . . 0.0 109.653 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -141.48 41.65 1.74 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.357 1.463 . . . . 0.0 111.209 -173.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 59.28 13.33 3.04 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 -177.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -112.1 -37.09 1.55 Allowed Glycine 0 N--CA 1.471 1.03 0 C-N-CA 124.984 1.278 . . . . 0.0 113.536 -176.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.85 32.18 6.31 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.63 1.972 . . . . 0.0 110.48 174.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.06 -58.43 7.93 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.85 1.26 . . . . 0.0 111.874 175.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 25.5 p -67.93 -32.24 72.56 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 176.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.57 -54.34 20.71 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.468 0.576 . . . . 0.0 112.034 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.44 -44.24 65.2 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-O 117.337 -1.316 . . . . 0.0 111.96 178.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -74.36 -35.64 63.55 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 120.908 1.686 . . . . 0.0 113.04 -176.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.9 -52.23 50.19 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.17 -1.172 . . . . 0.0 110.17 166.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 70.6 m -63.29 -36.73 84.64 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-O 117.709 -1.139 . . . . 0.0 114.073 175.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -68.29 -45.91 71.76 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 121.593 1.997 . . . . 0.0 111.13 177.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.22 -51.51 69.47 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.76 0.824 . . . . 0.0 111.589 172.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -31.55 72.09 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 118.319 -0.848 . . . . 0.0 112.961 175.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -79.35 -44.88 20.69 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 119.87 1.214 . . . . 0.0 111.505 -177.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.4 tt -62.4 -44.24 96.91 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.094 0.957 . . . . 0.0 109.98 172.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.0 p -67.01 -45.21 78.23 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-O 117.845 -1.074 . . . . 0.0 112.686 174.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.81 -39.75 90.15 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 120.936 1.698 . . . . 0.0 112.114 174.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 37.2 m -59.3 -43.81 92.59 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-O 117.449 -1.263 . . . . 0.0 110.66 169.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.8 -41.56 97.91 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 121.108 1.776 . . . . 0.0 113.677 170.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -61.51 -41.2 96.96 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.831 1.196 . . . . 0.0 111.934 176.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 74.9 m -78.75 -31.23 46.18 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.777 1.231 . . . . 0.0 112.42 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -67.57 -20.25 65.37 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 117.277 -1.344 . . . . 0.0 112.093 172.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 70.3 m -53.38 -30.14 38.31 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 121.04 1.746 . . . . 0.0 113.325 164.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -77.56 -37.32 50.91 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.717 0.807 . . . . 0.0 112.981 172.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -81.34 -38.49 26.62 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -178.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -74.53 -24.91 59.03 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.775 1.63 . . . . 0.0 112.847 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.15 24.64 11.26 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.882 1.673 . . . . 0.0 111.512 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -6.07 3.63 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -51.7 -33.02 32.44 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.852 1.661 . . . . 0.0 112.933 169.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -84.19 -43.36 15.02 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 118.007 -0.997 . . . . 0.0 112.489 167.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -54.44 -29.17 48.62 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 -173.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -41.83 81.09 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.898 0.772 . . . . 0.0 112.521 172.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -76.32 155.18 34.44 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.079 -1.013 . . . . 0.0 110.738 166.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.2 t 65.54 -13.62 0.13 Allowed 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 116.32 1.97 . . . . 0.0 116.32 -176.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -106.33 -35.4 7.16 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.917 1.235 . . . . 0.0 112.769 168.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 11.0 t80 . . . . . 0 N--CA 1.473 0.718 0 O-C-N 121.345 -0.847 . . . . 0.0 112.39 177.596 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 48.9 p90 . . . . . 0 N--CA 1.471 0.592 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.2 m -54.23 -27.8 37.0 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 175.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.0 p -102.35 -31.04 10.7 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.706 0.685 . . . . 0.0 112.396 170.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.95 -42.12 97.63 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.46 1.027 . . . . 0.0 112.228 176.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.454 ' CE1' ' HA3' ' A' ' 101' ' ' GLY . 0.2 OUTLIER -64.94 -47.86 76.18 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 118.642 0.655 . . . . 0.0 110.511 173.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.43 -20.54 63.78 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.093 -1.004 . . . . 0.0 113.272 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -89.94 -36.73 14.83 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.009 1.324 . . . . 0.0 112.259 171.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.03 -26.86 66.98 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 120.768 -1.208 . . . . 0.0 113.232 171.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.04 -46.24 52.86 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.001 0.92 . . . . 0.0 111.731 162.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 t -58.85 -31.17 68.27 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.207 1.003 . . . . 0.0 113.456 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.6 t -57.06 -38.9 73.93 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 121.384 -0.823 . . . . 0.0 112.521 173.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.7 -35.78 16.56 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.302 1.041 . . . . 0.0 113.31 177.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tp -61.2 -42.61 98.89 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.929 1.291 . . . . 0.0 111.495 176.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.28 -22.84 65.63 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.672 1.189 . . . . 0.0 113.595 171.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -17.02 62.14 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.911 1.284 . . . . 0.0 113.292 175.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -142.93 88.15 2.03 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.239 1.015 . . . . 0.0 112.331 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.4 t -52.46 -21.09 3.35 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.634 1.574 . . . . 0.0 114.603 177.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.06 -24.14 65.98 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 120.332 -1.48 . . . . 0.0 114.496 173.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -36.32 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 O-C-N 120.819 -1.176 . . . . 0.0 111.046 169.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.9 m -69.44 -36.3 76.51 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 120.892 -1.13 . . . . 0.0 112.009 173.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -32.7 69.44 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.063 -1.023 . . . . 0.0 112.312 169.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.62 -49.85 73.74 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.776 0.83 . . . . 0.0 112.413 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -70.22 -35.53 73.94 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 118.697 -0.668 . . . . 0.0 111.611 172.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.92 -23.81 67.49 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 120.183 1.356 . . . . 0.0 114.063 -177.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.4 m -66.18 -3.55 5.88 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.124 1.37 . . . . 0.0 114.646 169.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -142.97 155.65 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 126.516 1.926 . . . . 0.0 111.027 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 64.5 p -146.57 31.79 0.97 Allowed 'General case' 0 N--CA 1.479 0.985 0 O-C-N 120.532 -1.355 . . . . 0.0 113.456 -172.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.9 t -142.33 137.82 30.82 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.503 1.521 . . . . 0.0 110.814 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.3 -43.6 88.17 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -177.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.2 m -72.89 -27.78 62.1 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.208 1.003 . . . . 0.0 113.533 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.36 -30.84 27.12 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.126 -0.984 . . . . 0.0 111.958 173.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.93 -32.86 74.77 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.208 -0.933 . . . . 0.0 112.027 168.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.7 p -65.07 -38.17 89.92 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.275 -0.891 . . . . 0.0 112.338 168.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.1 t -66.88 -35.67 80.55 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.453 1.024 . . . . 0.0 113.534 171.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 22.2 tp -59.7 -59.49 5.35 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.757 0.823 . . . . 0.0 109.938 169.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.92 -26.13 68.18 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -177.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -61.14 -61.59 2.45 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.86 0.864 . . . . 0.0 110.294 166.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -61.84 -51.13 69.49 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.015 0.926 . . . . 0.0 113.3 -177.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.7 mm -68.64 -36.11 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 124.067 0.947 . . . . 0.0 110.747 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.38 -40.1 91.62 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-N 119.602 1.092 . . . . 0.0 113.306 176.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.44 -48.82 79.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.435 1.094 . . . . 0.0 110.354 171.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.0 t -66.38 -38.38 87.39 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 176.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.98 -51.8 59.73 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.471 1.108 . . . . 0.0 111.484 177.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.52 -49.0 68.51 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.076 0.95 . . . . 0.0 111.513 173.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -57.04 -47.64 80.43 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.63 0.772 . . . . 0.0 112.525 174.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.5 t -57.29 -36.46 71.08 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.351 1.461 . . . . 0.0 112.656 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.6 mt -79.9 -33.94 39.48 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.396 1.478 . . . . 0.0 113.016 175.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.73 2.19 19.21 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 126.081 1.8 . . . . 0.0 114.779 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.3 mp -68.17 107.14 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 C-N-CA 125.607 1.563 . . . . 0.0 110.057 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.56 -9.88 55.83 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 173.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.2 t -68.7 -0.82 5.75 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.186 0.994 . . . . 0.0 113.328 166.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.8 p30 -35.12 -51.39 0.54 Allowed 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.4 t -65.13 -42.61 93.7 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.706 1.602 . . . . 0.0 114.228 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.81 -40.86 60.84 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.222 1.009 . . . . 0.0 111.567 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.6 tp -62.3 -42.94 99.79 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 125.045 1.338 . . . . 0.0 111.518 172.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.71 -41.34 70.17 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 120.474 1.488 . . . . 0.0 111.81 175.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -74.34 2.54 44.92 Favored Glycine 0 CA--C 1.545 1.965 0 C-N-CA 125.622 1.582 . . . . 0.0 115.973 172.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -124.38 -34.09 2.95 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.736 1.614 . . . . 0.0 112.807 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.57 -41.48 98.96 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.74 1.616 . . . . 0.0 110.561 167.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.61 -37.04 67.61 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.531 1.133 . . . . 0.0 112.811 171.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -74.28 -27.32 60.68 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.298 1.039 . . . . 0.0 113.124 176.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.7 -57.12 4.03 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.198 0.908 . . . . 0.0 111.619 171.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.0 p -67.1 -32.13 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 O-C-N 121.429 -0.794 . . . . 0.0 112.527 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -85.96 -26.25 35.11 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 124.675 1.131 . . . . 0.0 112.748 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -65.24 -25.54 71.17 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 124.226 0.917 . . . . 0.0 113.349 168.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 t -134.19 41.57 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 125.599 1.56 . . . . 0.0 110.833 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -90.15 153.86 23.21 Favored Glycine 0 CA--C 1.536 1.36 0 O-C-N 121.063 -1.023 . . . . 0.0 112.672 178.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 39.03 66.66 0.52 Allowed 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.684 1.994 . . . . 0.0 115.294 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -173.74 -35.55 0.04 OUTLIER Glycine 0 N--CA 1.475 1.256 0 N-CA-C 115.694 1.038 . . . . 0.0 115.694 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.39 -74.85 0.44 Allowed 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.051 0.926 . . . . 0.0 111.952 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.7 t 162.3 172.76 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 128.847 2.859 . . . . 0.0 110.099 -176.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.31 -34.33 0.32 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.76 1.624 . . . . 0.0 114.069 157.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -59.13 -45.63 90.45 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.292 0.951 . . . . 0.0 111.576 176.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.71 -37.75 67.7 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 118.004 -0.998 . . . . 0.0 112.634 173.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -63.61 -51.8 63.67 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 120.223 1.374 . . . . 0.0 110.053 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.87 -48.9 74.74 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.389 1.476 . . . . 0.0 113.101 172.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -65.12 -38.93 92.23 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 119.352 0.978 . . . . 0.0 111.954 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.57 -46.32 76.39 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.754 1.161 . . . . 0.0 112.249 175.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 51.5 mt -59.3 -52.69 57.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 126.192 1.797 . . . . 0.0 110.405 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.86 -49.14 66.64 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.493 1.117 . . . . 0.0 112.454 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -58.69 -43.15 89.93 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.313 0.96 . . . . 0.0 111.003 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.36 88.12 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 119.629 1.104 . . . . 0.0 112.797 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -52.69 -47.77 67.0 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.366 0.666 . . . . 0.0 111.414 172.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.454 ' HA3' ' CE1' ' A' ' 22' ' ' PHE . . . -83.2 -20.26 61.02 Favored Glycine 0 CA--C 1.537 1.422 0 CA-C-O 118.247 -1.307 . . . . 0.0 115.762 177.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -55.72 -45.3 77.97 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 120.348 2.074 . . . . 0.0 109.87 169.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -62.81 -44.68 95.52 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 76.2 mt -59.57 -41.51 90.35 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.505 1.048 . . . . 0.0 112.109 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.774 0 C-N-CA 125.186 1.394 . . . . 0.0 112.13 174.609 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 121.212 0.529 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 15.7 tp -94.08 122.48 36.64 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.817 1.647 . . . . 0.0 109.548 173.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -131.1 26.19 4.9 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.82 1.248 . . . . 0.0 112.75 -172.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 60.79 25.65 15.5 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.805 1.642 . . . . 0.0 115.205 -177.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -135.62 -27.66 0.43 Allowed Glycine 0 N--CA 1.477 1.372 0 C-N-CA 125.342 1.448 . . . . 0.0 114.221 178.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -114.28 31.78 6.37 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.35 1.86 . . . . 0.0 111.17 171.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.51 -54.3 48.44 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.154 1.382 . . . . 0.0 112.867 177.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 52.8 p -69.24 -32.43 71.64 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.29 -54.72 21.51 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.107 0.563 . . . . 0.0 111.614 175.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.55 -51.01 55.82 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.394 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -73.99 -31.91 63.18 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.953 1.252 . . . . 0.0 113.11 -175.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -60.85 -45.68 96.04 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 166.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.4 t -63.49 -42.35 98.53 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.286 1.043 . . . . 0.0 112.294 173.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.22 -43.38 95.15 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 120.423 1.465 . . . . 0.0 111.891 178.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.67 -56.18 25.21 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.732 1.213 . . . . 0.0 111.785 171.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.7 ptt85 -62.15 -28.32 69.57 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 118.698 -0.668 . . . . 0.0 112.243 177.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.98 -38.94 64.0 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 124.384 1.074 . . . . 0.0 111.322 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -40.12 83.61 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 119.105 0.866 . . . . 0.0 111.571 164.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.5 m -62.97 -51.86 65.22 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.943 0.792 . . . . 0.0 111.919 172.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.82 -40.08 94.62 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.707 1.203 . . . . 0.0 112.626 -177.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 95.9 p -68.5 -40.85 80.69 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-O 117.31 -1.328 . . . . 0.0 111.239 171.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.14 -42.0 97.77 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 121.442 1.928 . . . . 0.0 114.042 172.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -57.99 -37.17 73.75 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.285 1.434 . . . . 0.0 111.922 175.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 74.8 m -82.76 -37.74 24.19 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.458 1.103 . . . . 0.0 113.127 173.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -67.35 -15.51 63.72 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.414 1.486 . . . . 0.0 112.317 176.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 35.6 t -49.68 -38.63 33.51 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 120.272 1.396 . . . . 0.0 112.088 162.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -21.04 64.51 Favored 'General case' 0 CA--C 1.551 0.996 0 O-C-N 120.366 -1.459 . . . . 0.0 114.212 172.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -112.6 -16.73 12.77 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 126.089 1.756 . . . . 0.0 113.969 -177.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -103.95 -24.54 13.24 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 127.0 2.12 . . . . 0.0 111.904 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 15.4 m -114.43 21.43 14.6 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.489 1.916 . . . . 0.0 111.407 175.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -63.01 15.3 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.461 1.504 . . . . 0.0 114.74 174.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -50.27 -28.41 7.68 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 126.003 1.721 . . . . 0.0 114.031 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -77.61 -49.43 14.61 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.201 1.401 . . . . 0.0 112.853 168.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -73.64 -22.4 60.0 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -174.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.85 -26.37 37.03 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.313 1.445 . . . . 0.0 113.416 175.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -58.83 142.71 49.65 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.069 0.85 . . . . 0.0 111.517 -178.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.5 t 85.85 -32.23 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 128.712 2.805 . . . . 0.0 113.344 -169.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -97.5 -48.5 5.25 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.907 0.883 . . . . 0.0 112.216 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.472 0.625 0 C-N-CA 124.61 1.164 . . . . 0.0 112.806 177.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.2 p90 . . . . . 0 CA--C 1.537 0.477 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.4 t -72.42 -37.18 68.69 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.782 1.233 . . . . 0.0 112.48 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.0 t -83.64 -38.92 20.91 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.957 0.903 . . . . 0.0 111.578 173.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.8 -30.83 71.12 Favored 'General case' 0 CA--C 1.55 0.967 0 O-C-N 121.129 -0.982 . . . . 0.0 113.307 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.458 ' CD2' ' HB2' ' A' ' 119' ' ' ALA . 12.6 t80 -52.67 -55.42 22.72 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.942 1.297 . . . . 0.0 109.822 162.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.24 -19.95 65.0 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -172.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -78.78 -39.9 34.66 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.426 1.091 . . . . 0.0 113.332 170.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.55 -31.64 71.0 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.014 -1.054 . . . . 0.0 112.545 173.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.79 -48.56 66.78 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.172 0.989 . . . . 0.0 110.835 163.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.99 -30.94 38.09 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 175.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.97 -37.93 81.05 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.92 1.236 . . . . 0.0 113.182 175.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.67 -32.46 14.73 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.732 0.813 . . . . 0.0 112.733 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.88 -43.33 94.83 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.532 0.733 . . . . 0.0 110.739 171.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.13 -22.06 66.37 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.574 1.149 . . . . 0.0 113.97 173.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.28 -13.7 61.98 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.721 1.208 . . . . 0.0 112.732 172.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.5 t -135.18 82.85 1.98 Allowed 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 126.02 1.728 . . . . 0.0 110.085 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.4 t -53.69 -25.47 18.4 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.09 0.956 . . . . 0.0 113.081 175.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.5 -19.48 9.86 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 169.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.5 tp -59.12 -42.06 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-N 120.038 1.29 . . . . 0.0 111.997 168.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.7 t -69.06 -36.75 78.01 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.806 0.843 . . . . 0.0 109.827 175.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -62.54 -28.14 69.65 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.04 -1.038 . . . . 0.0 113.635 173.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.46 -51.65 68.55 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.789 0.836 . . . . 0.0 111.772 171.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -45.04 95.26 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 118.705 -0.664 . . . . 0.0 110.493 172.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.14 -20.28 57.69 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -65.55 -22.99 66.76 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.443 1.497 . . . . 0.0 114.057 173.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.87 158.2 39.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 126.92 2.088 . . . . 0.0 110.565 -179.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.16 39.53 1.77 Allowed 'General case' 0 N--CA 1.477 0.903 0 O-C-N 120.687 -1.258 . . . . 0.0 112.222 -174.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 m -144.16 135.73 25.86 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.572 1.549 . . . . 0.0 111.419 -175.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.52 -45.86 84.49 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.474 1.51 . . . . 0.0 113.429 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.31 -36.6 58.23 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.604 0.762 . . . . 0.0 112.022 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.43 -30.95 70.83 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.13 -0.982 . . . . 0.0 112.926 174.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.24 86.66 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.435 -0.79 . . . . 0.0 112.19 169.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -41.99 85.0 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.275 0.63 . . . . 0.0 111.342 168.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.6 m -65.75 -39.88 91.53 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 172.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 22.5 tp -57.2 -54.09 50.71 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 120.102 1.319 . . . . 0.0 110.279 171.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.54 -37.25 85.36 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.153 -0.967 . . . . 0.0 112.775 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -61.53 -50.99 70.46 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.985 1.266 . . . . 0.0 111.265 173.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -62.02 -46.88 87.25 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.268 1.427 . . . . 0.0 112.513 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 26.2 mm -84.38 -36.8 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 124.045 0.938 . . . . 0.0 111.4 -175.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.51 -32.43 68.76 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 125.122 1.344 . . . . 0.0 113.013 172.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 tp -57.2 -50.99 71.11 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 117.734 0.767 . . . . 0.0 111.225 169.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.8 t -70.02 -33.54 72.14 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.236 1.014 . . . . 0.0 113.037 177.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.21 -52.62 61.53 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.314 1.046 . . . . 0.0 111.976 177.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.87 -45.69 82.31 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.415 0.686 . . . . 0.0 110.802 173.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.2 ttt85 -59.62 -40.62 88.18 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.5 t -62.45 -34.83 77.57 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.885 1.674 . . . . 0.0 112.416 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -85.87 -12.77 49.86 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.977 1.311 . . . . 0.0 112.449 174.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.49 6.26 80.96 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.929 1.728 . . . . 0.0 114.47 -176.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 44.9 mm -68.28 108.02 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 126.514 1.926 . . . . 0.0 109.8 175.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.84 -6.08 35.29 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.332 1.053 . . . . 0.0 113.752 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.9 m -79.84 18.51 0.79 Allowed 'General case' 0 C--O 1.223 -0.342 0 C-N-CA 125.44 1.496 . . . . 0.0 112.47 170.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -43.59 -51.51 6.86 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.63 1.172 . . . . 0.0 112.943 172.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.4 t -64.55 -43.97 92.26 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 177.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.37 -43.41 70.17 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.918 0.887 . . . . 0.0 111.94 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.3 tp -63.92 -45.5 88.95 Favored 'General case' 0 C--O 1.214 -0.77 0 C-N-CA 124.902 1.281 . . . . 0.0 110.865 171.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.3 -34.62 66.67 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 121.29 1.859 . . . . 0.0 111.868 176.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.62 -2.31 68.94 Favored Glycine 0 CA--C 1.545 1.96 0 C-N-CA 125.809 1.671 . . . . 0.0 116.315 170.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.95 -24.79 5.51 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 126.636 1.975 . . . . 0.0 112.885 176.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.7 tp -74.25 -41.69 60.88 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 126.983 2.113 . . . . 0.0 109.94 175.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.12 -29.83 23.6 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.837 1.655 . . . . 0.0 113.248 166.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -83.77 -35.55 24.25 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.329 1.052 . . . . 0.0 112.489 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.0 -51.14 27.23 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.697 -0.627 . . . . 0.0 111.272 173.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.6 p -65.24 -38.53 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.304 0.641 . . . . 0.0 111.653 176.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -76.03 -25.79 65.86 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.663 1.125 . . . . 0.0 113.043 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.07 -20.95 60.94 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.25 1.405 . . . . 0.0 113.811 170.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 t -132.25 38.71 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.757 1.623 . . . . 0.0 110.258 174.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.36 89.28 0.08 OUTLIER Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.885 1.231 . . . . 0.0 112.574 176.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 67.07 104.34 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 127.998 2.519 . . . . 0.0 113.403 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 168.13 -21.23 0.09 OUTLIER Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.672 1.13 . . . . 0.0 114.113 -176.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -120.32 -71.77 0.72 Allowed 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 117.461 -1.257 . . . . 0.0 112.243 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.4 t 156.61 -179.54 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 128.819 2.848 . . . . 0.0 110.702 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -43.54 -29.53 0.48 Allowed 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 125.241 1.416 . . . . 0.0 113.599 161.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.7 m -64.02 -37.37 87.16 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 121.343 1.883 . . . . 0.0 113.729 173.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.99 89.43 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 119.098 0.863 . . . . 0.0 111.692 171.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -74.85 -44.98 46.16 Favored 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 123.287 0.635 . . . . 0.0 109.499 -177.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.39 -53.33 59.38 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 126.798 2.039 . . . . 0.0 111.423 173.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.64 -37.64 82.73 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 117.71 -1.138 . . . . 0.0 111.841 177.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.56 -48.22 73.15 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-N 120.547 1.521 . . . . 0.0 111.057 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 66.5 mt -59.97 -47.69 90.7 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.424 0 C-N-CA 125.536 1.534 . . . . 0.0 110.112 175.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.15 -38.4 75.48 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.257 0.935 . . . . 0.0 113.483 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -63.43 -56.72 13.91 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 120.692 -1.255 . . . . 0.0 109.465 171.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.99 -35.14 76.04 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.965 1.257 . . . . 0.0 114.267 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -52.2 -62.78 1.42 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.515 1.126 . . . . 0.0 109.923 166.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.56 -30.04 75.78 Favored Glycine 0 CA--C 1.532 1.119 0 CA-C-O 119.137 -0.813 . . . . 0.0 114.398 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -56.73 -47.47 79.94 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.778 1.631 . . . . 0.0 109.93 175.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -66.15 -41.18 90.76 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.53 -41.21 93.33 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.556 0.742 . . . . 0.0 111.874 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.646 0 C-N-CA 126.468 1.907 . . . . 0.0 112.913 172.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 48.5 t . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 121.131 0.491 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.69 125.42 34.39 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.218 1.007 . . . . 0.0 109.791 178.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -136.41 25.89 3.17 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.988 1.315 . . . . 0.0 111.628 -173.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 50.96 43.71 28.7 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.473 1.509 . . . . 0.0 114.054 -177.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -153.78 -42.31 0.02 OUTLIER Glycine 0 N--CA 1.474 1.205 0 C-N-CA 124.221 0.915 . . . . 0.0 112.778 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.05 9.95 42.46 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.343 1.457 . . . . 0.0 112.478 168.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.31 -52.47 65.49 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.699 1.136 . . . . 0.0 110.954 -178.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.1 t -62.34 -39.4 92.98 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.081 -1.012 . . . . 0.0 113.461 175.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.28 -52.22 65.62 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.428 0.691 . . . . 0.0 111.824 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.51 -30.99 67.9 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 117.542 -1.218 . . . . 0.0 112.281 175.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.458 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . . . -64.78 -52.38 57.22 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 120.389 1.449 . . . . 0.0 112.563 177.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -52.41 -49.6 50.94 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 172.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 34.8 m -59.76 -38.66 82.39 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 173.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -66.76 -47.64 71.59 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 121.246 1.839 . . . . 0.0 111.975 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.15 -56.52 21.09 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 123.824 0.85 . . . . 0.0 111.243 174.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -32.81 68.13 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 119.039 -0.505 . . . . 0.0 111.728 174.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.84 -49.66 67.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 120.198 1.363 . . . . 0.0 111.649 176.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -36.09 80.38 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.662 0.785 . . . . 0.0 112.347 172.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.94 -43.24 79.59 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 118.619 -0.705 . . . . 0.0 111.14 175.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.35 -45.08 77.41 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.458 1.503 . . . . 0.0 112.339 176.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.3 p -62.94 -42.57 99.85 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 117.624 -1.179 . . . . 0.0 111.022 173.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.01 -43.38 95.8 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 120.878 1.672 . . . . 0.0 114.293 172.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -59.47 -44.96 92.9 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.164 1.785 . . . . 0.0 111.467 175.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 69.9 m -72.8 -35.83 67.45 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 123.346 0.658 . . . . 0.0 111.399 174.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -63.03 -17.14 61.9 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 120.108 -1.62 . . . . 0.0 113.291 172.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 46.1 m -57.32 -26.28 60.66 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 120.504 1.502 . . . . 0.0 113.187 163.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -48.48 45.03 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.061 0.944 . . . . 0.0 111.46 167.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.98 -32.07 61.6 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -174.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -70.93 -29.89 66.05 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.688 1.195 . . . . 0.0 112.547 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 66.3 m -120.11 31.19 6.62 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.382 1.873 . . . . 0.0 110.374 -176.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.96 0.68 4.18 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 178.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -46.89 -30.05 2.32 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.782 2.033 . . . . 0.0 113.639 174.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -111.71 -29.67 7.62 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.325 1.05 . . . . 0.0 113.745 171.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -56.87 -28.72 62.14 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.38 1.072 . . . . 0.0 111.883 -176.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -50.84 -27.18 6.84 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 170.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -133.23 37.82 3.35 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.822 1.649 . . . . 0.0 111.547 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.74 -31.58 0.09 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.546 1.138 . . . . 0.0 113.384 176.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -97.56 -44.64 6.73 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 125.36 1.464 . . . . 0.0 111.522 174.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.545 0.76 0 CA-C-N 118.96 0.8 . . . . 0.0 112.037 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.0 p90 . . . . . 0 C--O 1.221 -0.404 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 98.0 p -66.19 -37.14 84.88 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.923 1.238 . . . . 0.0 113.402 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.3 p -90.75 -37.91 13.37 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.365 1.066 . . . . 0.0 111.753 176.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.65 -29.8 70.41 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.746 0.818 . . . . 0.0 113.194 174.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.412 ' CD2' ' HB2' ' A' ' 119' ' ' ALA . 10.6 t80 -53.04 -59.92 3.93 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.997 1.319 . . . . 0.0 109.822 163.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.17 -11.26 28.89 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -172.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.94 -46.98 49.46 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.627 1.571 . . . . 0.0 112.706 169.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.33 -23.78 57.3 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.4 1.08 . . . . 0.0 112.95 174.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.62 -46.55 70.51 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.309 0.644 . . . . 0.0 110.027 164.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.01 -29.7 44.42 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 173.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.9 m -60.81 -36.01 77.97 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 120.099 1.318 . . . . 0.0 113.165 176.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.68 -33.98 14.84 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.053 0.941 . . . . 0.0 112.458 176.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.3 -41.34 96.83 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.538 0.735 . . . . 0.0 112.081 173.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.83 -21.08 66.45 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.222 1.409 . . . . 0.0 113.556 172.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.63 -14.31 59.99 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.251 1.421 . . . . 0.0 112.435 171.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.8 m -141.71 69.9 1.33 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.493 1.517 . . . . 0.0 112.132 -174.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.1 p -54.98 -19.12 6.08 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 175.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.29 -21.46 3.52 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.451 1.5 . . . . 0.0 114.144 167.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -42.74 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 119.319 0.963 . . . . 0.0 112.292 171.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.9 m -67.25 -29.89 69.64 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.928 0.891 . . . . 0.0 110.421 178.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.2 -33.76 76.18 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.576 1.15 . . . . 0.0 113.494 171.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.95 -46.89 82.7 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.505 0.593 . . . . 0.0 111.233 175.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -69.76 -28.44 65.78 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 113.04 0.755 . . . . 0.0 113.04 174.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.03 -20.85 64.14 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 119.196 0.907 . . . . 0.0 113.051 171.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.0 t -73.7 -29.44 62.28 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.777 1.231 . . . . 0.0 113.33 176.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -109.86 153.49 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 126.27 1.828 . . . . 0.0 110.97 178.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.13 41.49 1.18 Allowed 'General case' 0 N--CA 1.48 1.064 0 O-C-N 120.595 -1.315 . . . . 0.0 112.614 -175.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 m -144.26 135.96 25.94 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.825 1.65 . . . . 0.0 110.528 -174.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.82 -48.99 79.44 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.107 0.963 . . . . 0.0 113.021 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -36.94 69.58 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.178 0.991 . . . . 0.0 112.484 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.63 -32.56 68.1 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.653 -1.28 . . . . 0.0 112.877 175.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.84 -38.5 89.04 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.373 -0.83 . . . . 0.0 111.495 170.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.63 -39.9 95.29 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.491 0.587 . . . . 0.0 112.289 170.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.1 t -60.83 -46.82 89.06 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 118.344 -0.836 . . . . 0.0 111.841 170.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 tt -60.72 -43.79 97.42 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 120.269 1.395 . . . . 0.0 112.209 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.92 -40.95 77.29 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 120.948 -1.095 . . . . 0.0 113.22 170.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -64.36 -49.16 72.74 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.302 0.956 . . . . 0.0 111.394 170.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.79 -45.58 85.66 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.88 1.672 . . . . 0.0 112.61 -171.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.0 mm -86.19 -35.93 9.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 125.791 1.636 . . . . 0.0 109.317 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.92 -38.23 88.04 Favored Glycine 0 N--CA 1.477 1.394 0 C-N-CA 125.77 1.652 . . . . 0.0 113.597 172.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.4 -47.5 72.66 Favored 'General case' 0 C--O 1.224 -0.243 0 C-N-CA 123.221 0.608 . . . . 0.0 110.851 167.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 t -69.08 -33.9 74.26 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.01 -49.73 75.86 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 121.1 1.773 . . . . 0.0 111.666 173.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.84 -48.3 72.09 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 119.235 -0.412 . . . . 0.0 112.092 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -62.42 -37.13 84.65 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.95 1.3 . . . . 0.0 114.334 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.1 t -59.51 -36.61 76.43 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.066 1.746 . . . . 0.0 112.094 173.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 79.0 mt -88.97 -11.99 42.8 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.052 1.341 . . . . 0.0 113.212 175.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.96 7.37 70.65 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 126.414 1.959 . . . . 0.0 114.756 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 25.9 mm -65.35 107.59 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 126.384 1.874 . . . . 0.0 109.922 176.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.9 -10.77 55.91 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.401 1.08 . . . . 0.0 113.775 175.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.6 m -70.85 2.15 4.63 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-O 117.914 -1.041 . . . . 0.0 112.759 166.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.3 p30 -40.22 -55.61 2.12 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 120.767 1.621 . . . . 0.0 114.572 173.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.8 t -64.74 -41.26 96.06 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.438 1.095 . . . . 0.0 113.449 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.27 -43.19 57.92 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.5 1.12 . . . . 0.0 111.987 -177.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -47.84 76.41 Favored 'General case' 0 C--O 1.216 -0.658 0 C-N-CA 126.737 2.015 . . . . 0.0 109.961 173.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.4 -42.62 61.57 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 120.637 1.562 . . . . 0.0 112.115 171.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -70.88 -2.93 48.83 Favored Glycine 0 CA--C 1.542 1.756 0 C-N-CA 125.722 1.63 . . . . 0.0 116.208 172.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -116.91 -26.76 6.79 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 127.397 2.279 . . . . 0.0 112.533 174.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.88 -44.84 68.94 Favored 'General case' 0 CA--C 1.523 -0.076 0 C-N-CA 126.502 1.921 . . . . 0.0 110.335 174.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.68 -27.55 28.34 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.08 1.352 . . . . 0.0 112.782 168.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -37.35 50.33 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.789 -1.194 . . . . 0.0 112.247 174.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.37 -51.94 31.95 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.723 0.692 . . . . 0.0 111.754 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.0 p -69.06 -35.47 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 O-C-N 121.622 -0.674 . . . . 0.0 111.941 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.9 -19.0 79.3 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 124.275 0.941 . . . . 0.0 112.771 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -74.91 -9.29 83.48 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 125.349 1.452 . . . . 0.0 114.217 168.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.4 p -137.13 16.56 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.028 1.331 . . . . 0.0 112.67 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -56.98 111.28 2.68 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 124.792 1.187 . . . . 0.0 112.117 -178.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 56.11 105.77 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.964 2.105 . . . . 0.0 114.637 -169.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 166.84 -43.8 0.26 Allowed Glycine 0 N--CA 1.472 1.034 0 O-C-N 121.371 -0.831 . . . . 0.0 113.558 171.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -89.57 -86.88 0.18 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.992 0.917 . . . . 0.0 110.615 174.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.1 p 167.36 -176.72 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 127.564 2.346 . . . . 0.0 111.47 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.04 -26.87 0.49 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 117.295 -1.336 . . . . 0.0 114.043 162.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.6 p -64.37 -48.02 77.07 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 121.376 1.898 . . . . 0.0 111.503 173.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.08 -32.76 69.49 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 117.881 -1.057 . . . . 0.0 111.926 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 -69.86 -52.56 23.83 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 120.012 1.278 . . . . 0.0 109.223 176.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.7 -41.96 82.77 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.248 1.419 . . . . 0.0 113.672 175.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -71.54 -44.09 65.22 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-O 118.295 -0.859 . . . . 0.0 110.748 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.33 -33.52 74.84 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 120.528 1.513 . . . . 0.0 112.088 174.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 32.3 mt -68.73 -58.86 4.52 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 C-N-CA 126.54 1.936 . . . . 0.0 109.391 173.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.48 -44.21 95.06 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 120.599 1.545 . . . . 0.0 113.021 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.5 ptm85 -62.18 -43.01 99.79 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.871 -1.143 . . . . 0.0 112.262 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.23 -37.9 69.06 Favored 'General case' 0 N--CA 1.46 0.075 0 CA-C-N 119.799 1.181 . . . . 0.0 110.966 176.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.13 -36.06 65.36 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 117.376 -1.297 . . . . 0.0 110.544 174.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -86.91 -27.62 28.32 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 125.349 1.452 . . . . 0.0 115.405 171.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.55 -41.62 81.34 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.508 1.654 . . . . 0.0 109.382 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -65.66 -42.59 91.2 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.33 -36.38 71.53 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.793 -0.567 . . . . 0.0 111.549 178.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.917 0 C-N-CA 124.697 1.199 . . . . 0.0 112.992 170.7 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 74.2 t . . . . . 0 N--CA 1.482 1.126 0 CA-C-O 120.778 0.323 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.407 HD13 ' CD2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -79.77 138.31 37.23 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.614 0.766 . . . . 0.0 111.909 171.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -132.84 23.25 4.25 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.408 1.483 . . . . 0.0 112.348 -174.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 49.35 51.54 16.13 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.596 1.159 . . . . 0.0 113.602 -177.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -166.14 -47.39 0.02 OUTLIER Glycine 0 N--CA 1.472 1.089 0 C-N-CA 124.127 0.87 . . . . 0.0 113.109 -176.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.49 12.94 17.08 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.704 1.201 . . . . 0.0 112.401 165.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.09 -56.43 20.91 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 119.953 1.251 . . . . 0.0 110.295 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 36.5 m -66.83 -35.73 80.72 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.67 -51.24 58.32 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.994 0.918 . . . . 0.0 111.759 177.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.08 -27.79 65.93 Favored 'General case' 0 C--O 1.218 -0.592 0 C-N-CA 124.318 1.047 . . . . 0.0 111.382 176.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.412 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . . . -72.44 -54.48 9.22 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 119.507 1.049 . . . . 0.0 113.117 178.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -52.7 -45.74 60.08 Favored Glycine 0 CA--C 1.527 0.781 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 172.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.9 p -63.49 -41.87 98.56 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 116.954 -1.498 . . . . 0.0 113.399 174.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.53 -46.39 88.59 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 121.967 2.167 . . . . 0.0 113.72 176.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.32 -56.33 23.22 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.445 1.098 . . . . 0.0 111.711 174.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.04 -32.66 72.27 Favored 'General case' 0 C--O 1.21 -0.977 0 CA-C-O 117.166 -1.397 . . . . 0.0 111.618 174.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.49 -37.76 68.34 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 121.246 1.839 . . . . 0.0 111.74 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -66.66 -52.72 41.75 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 124.363 1.065 . . . . 0.0 109.39 171.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.9 t -59.05 -34.32 71.79 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-O 118.55 -0.738 . . . . 0.0 112.527 175.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.17 96.74 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 120.931 1.696 . . . . 0.0 111.253 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 36.1 t -62.04 -53.35 56.83 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 118.901 -0.571 . . . . 0.0 110.615 169.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.71 -43.2 72.35 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -59.51 -40.34 86.8 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 128.859 2.864 . . . . 0.0 112.13 175.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.2 m -79.36 -32.27 43.17 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.821 0.848 . . . . 0.0 112.248 173.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -68.83 -27.28 65.7 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.108 1.363 . . . . 0.0 111.277 173.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 45.5 m -60.73 -5.62 1.37 Allowed 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.639 -1.288 . . . . 0.0 113.792 164.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -109.54 -12.9 14.63 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.78 1.632 . . . . 0.0 113.677 171.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -108.41 -22.09 12.46 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.349 1.459 . . . . 0.0 113.657 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -114.85 -23.99 8.88 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.184 2.194 . . . . 0.0 113.066 174.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 11.8 t -126.03 38.03 4.22 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.158 1.383 . . . . 0.0 110.796 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -13.93 0.19 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.366 1.467 . . . . 0.0 114.246 172.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -50.26 -23.09 2.05 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.879 1.271 . . . . 0.0 113.515 163.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -75.27 -24.11 57.54 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.875 1.67 . . . . 0.0 114.079 171.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -78.85 -47.36 16.74 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 120.921 -1.112 . . . . 0.0 111.136 175.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -10.49 58.39 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 173.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -66.77 54.4 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 127.344 2.257 . . . . 0.0 113.865 173.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 42.4 t -164.49 -38.43 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 127.839 2.455 . . . . 0.0 110.721 175.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -102.92 -19.89 14.46 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.908 1.283 . . . . 0.0 113.96 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.472 0.659 0 C-N-CA 125.189 1.396 . . . . 0.0 112.343 177.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.9 p90 . . . . . 0 C--O 1.222 -0.381 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.1 p -71.92 -35.07 69.55 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 119.506 1.048 . . . . 0.0 112.37 -174.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 81.7 p -68.71 -41.02 79.68 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.51 0.595 . . . . 0.0 111.186 171.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.22 -39.69 82.29 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.26 1.024 . . . . 0.0 112.884 176.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.431 ' CD2' ' HB2' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -58.56 -60.9 3.08 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.261 1.424 . . . . 0.0 109.342 168.386 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.55 -14.32 60.83 Favored 'General case' 0 CA--C 1.552 1.022 0 O-C-N 119.897 -1.752 . . . . 0.0 113.646 -175.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -82.17 -46.18 14.12 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.15 1.38 . . . . 0.0 113.081 167.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.61 -25.45 67.39 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 120.952 -1.093 . . . . 0.0 113.007 173.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.37 -48.88 62.37 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.427 1.091 . . . . 0.0 111.069 164.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.0 t -55.07 -27.69 46.81 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 174.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 t -58.8 -39.08 80.07 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.748 1.158 . . . . 0.0 112.676 175.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.39 -33.72 15.15 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.666 0.786 . . . . 0.0 112.856 175.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.08 -36.43 81.66 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.385 0.674 . . . . 0.0 112.782 176.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.29 -22.37 66.83 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.317 1.447 . . . . 0.0 113.551 171.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -85.6 -6.62 59.14 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.393 1.877 . . . . 0.0 112.354 172.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.79 61.74 1.67 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.279 1.831 . . . . 0.0 111.721 -172.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 t -55.14 -26.65 39.91 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 121.044 -1.035 . . . . 0.0 113.741 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.23 -14.81 7.94 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 170.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.08 -39.95 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 O-C-N 120.382 -1.449 . . . . 0.0 111.842 168.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.1 m -66.14 -29.21 69.47 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 121.685 -0.634 . . . . 0.0 110.608 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.17 -28.6 67.43 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.17 0.988 . . . . 0.0 113.49 171.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.07 -49.46 76.84 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.923 0.783 . . . . 0.0 110.262 170.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.34 -37.31 80.38 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.605 0.762 . . . . 0.0 112.555 175.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.26 -22.91 66.37 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.096 -1.002 . . . . 0.0 113.314 175.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 t -73.54 -6.22 45.17 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.237 1.415 . . . . 0.0 113.742 171.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.2 p -147.56 98.51 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.201 1.401 . . . . 0.0 113.277 -174.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.5 p -83.08 31.0 0.44 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.311 1.444 . . . . 0.0 114.823 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 m -140.65 129.6 23.27 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.555 1.542 . . . . 0.0 111.681 -173.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.13 -46.62 89.02 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.284 1.034 . . . . 0.0 113.439 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.53 -34.2 72.01 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.322 0.649 . . . . 0.0 112.078 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.02 -31.87 61.46 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.01 -1.056 . . . . 0.0 112.721 173.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.08 -28.17 69.9 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 120.998 -1.064 . . . . 0.0 112.291 170.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.02 -41.19 97.83 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.445 -0.784 . . . . 0.0 112.493 167.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.7 t -66.01 -35.83 81.63 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.52 0.728 . . . . 0.0 112.492 172.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.1 tp -61.39 -50.73 71.68 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.443 1.02 . . . . 0.0 111.358 171.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.84 -30.81 71.09 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 176.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -61.43 -52.88 62.73 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.847 0.749 . . . . 0.0 110.53 164.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -58.0 -49.01 78.29 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.333 1.453 . . . . 0.0 112.634 -175.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.0 mm -86.07 -35.86 9.78 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 CA-C-O 118.588 -0.72 . . . . 0.0 111.184 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.71 -35.76 92.35 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-N 120.295 1.407 . . . . 0.0 113.423 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.66 -53.2 60.79 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 117.977 0.889 . . . . 0.0 109.956 169.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.9 t -67.51 -28.49 67.87 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.09 -62.6 1.52 Allowed 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 125.131 1.372 . . . . 0.0 109.678 174.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.08 -45.03 42.55 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.658 0.783 . . . . 0.0 111.222 172.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -61.85 -41.47 97.86 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 120.488 -1.382 . . . . 0.0 114.293 174.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.7 m -62.09 -31.62 72.09 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.767 1.627 . . . . 0.0 112.738 175.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 122' ' ' PHE . 1.3 mt -88.69 -15.07 35.79 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.994 1.317 . . . . 0.0 113.763 173.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.12 20.13 40.09 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 125.864 1.697 . . . . 0.0 114.586 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.6 mm -88.97 112.25 23.87 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 C-N-CA 127.101 2.16 . . . . 0.0 109.751 -174.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.29 -9.4 23.86 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.0 m -67.15 -6.88 19.63 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-O 117.519 -1.229 . . . . 0.0 113.091 167.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.4 p30 -39.86 -54.07 2.2 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 120.994 1.725 . . . . 0.0 115.06 177.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.8 t -63.7 -43.27 97.09 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.157 1.383 . . . . 0.0 113.504 178.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.23 -43.59 60.96 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.2 1.0 . . . . 0.0 111.623 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.3 tp -62.02 -44.28 97.04 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 126.73 2.012 . . . . 0.0 111.188 173.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.95 -35.37 66.6 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 120.713 1.597 . . . . 0.0 111.937 175.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -86.08 5.93 82.76 Favored Glycine 0 CA--C 1.541 1.666 0 C-N-CA 125.252 1.406 . . . . 0.0 115.99 172.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -127.6 -30.09 2.59 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.779 1.789 . . . . 0.0 113.291 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.89 -39.11 79.93 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 126.574 1.95 . . . . 0.0 110.399 171.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.6 -33.03 44.46 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.228 1.411 . . . . 0.0 112.774 167.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -29.54 60.93 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.981 -1.075 . . . . 0.0 112.958 174.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.18 -56.15 4.91 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.44 1.018 . . . . 0.0 111.205 174.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.9 p -65.66 -31.47 53.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 O-C-N 121.701 -0.624 . . . . 0.0 112.431 179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -89.68 -20.03 45.75 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 124.978 1.275 . . . . 0.0 112.725 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.47 -24.05 77.32 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.663 1.125 . . . . 0.0 113.018 167.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 t -137.28 43.96 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.746 1.618 . . . . 0.0 110.948 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -91.4 150.66 20.54 Favored Glycine 0 CA--C 1.537 1.417 0 O-C-N 121.304 -0.873 . . . . 0.0 111.777 175.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 41.12 80.2 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.762 2.025 . . . . 0.0 115.591 -177.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 176.17 -36.3 0.1 OUTLIER Glycine 0 N--CA 1.474 1.204 0 O-C-N 121.728 -0.608 . . . . 0.0 114.313 173.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -90.99 -87.85 0.19 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.25 1.02 . . . . 0.0 110.529 173.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.1 p 170.93 -176.27 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 126.985 2.114 . . . . 0.0 111.202 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.75 -25.23 1.17 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 117.668 -1.158 . . . . 0.0 113.689 161.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.21 -48.77 74.6 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 121.053 1.752 . . . . 0.0 111.525 172.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.63 -36.92 76.57 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 117.693 -1.146 . . . . 0.0 112.389 173.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -66.48 -51.96 51.25 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 120.544 1.52 . . . . 0.0 109.632 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.65 -41.65 95.4 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.594 1.157 . . . . 0.0 113.626 174.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -68.81 -41.91 78.02 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 119.966 1.257 . . . . 0.0 110.867 176.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.17 96.39 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 120.139 1.336 . . . . 0.0 111.903 174.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.5 mt -65.77 -52.99 43.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 126.239 1.816 . . . . 0.0 110.559 175.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.91 -61.7 2.31 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.778 0.831 . . . . 0.0 110.476 176.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -49.02 -40.35 30.66 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 120.216 1.371 . . . . 0.0 112.686 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.42 -39.0 68.21 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 119.219 0.918 . . . . 0.0 112.809 177.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.447 ' HB1' ' CD2' ' A' ' 122' ' ' PHE . . . -53.25 -42.04 66.08 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 117.957 0.344 . . . . 0.0 110.973 168.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.414 ' HA3' ' CE1' ' A' ' 22' ' ' PHE . . . -80.31 -25.3 57.48 Favored Glycine 0 N--CA 1.468 0.799 0 CA-C-O 118.207 -1.33 . . . . 0.0 115.549 175.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -55.14 -44.22 74.88 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 119.686 1.743 . . . . 0.0 110.284 171.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.11 -40.49 74.87 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 176.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 74.8 mt -61.33 -42.53 98.83 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.742 0.701 . . . . 0.0 111.649 177.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.716 0 C-N-CA 125.798 1.639 . . . . 0.0 113.201 173.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 0 N--CA 1.476 0.841 0 CA-C-O 121.164 0.507 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.38 127.0 34.76 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.191 0.996 . . . . 0.0 110.114 175.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -136.48 36.98 2.7 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.388 1.475 . . . . 0.0 111.666 -173.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 48.99 34.64 5.73 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 125.313 1.445 . . . . 0.0 114.89 176.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -157.85 -46.33 0.01 OUTLIER Glycine 0 N--CA 1.474 1.213 0 C-N-CA 124.509 1.052 . . . . 0.0 113.663 -172.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.06 9.55 27.65 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.209 1.004 . . . . 0.0 112.578 163.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.37 -48.6 71.32 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.416 1.086 . . . . 0.0 111.423 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.3 p -71.77 -36.79 70.48 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 176.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.71 -51.43 62.46 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.861 0.864 . . . . 0.0 111.587 178.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -32.44 73.75 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-O 117.571 -1.204 . . . . 0.0 112.136 172.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.431 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . . . -64.72 -53.73 42.57 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 120.629 1.559 . . . . 0.0 113.182 177.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.95 -44.99 72.23 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 109.814 -1.315 . . . . 0.0 109.814 173.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.2 t -60.41 -44.61 95.56 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 174.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . 0.447 ' CD2' ' HB1' ' A' ' 100' ' ' ALA . 1.2 m-85 -68.12 -42.57 80.02 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 121.017 1.735 . . . . 0.0 114.105 178.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.67 -55.31 36.68 Favored 'General case' 0 N--CA 1.439 -0.996 0 C-N-CA 125.069 1.348 . . . . 0.0 110.624 172.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -34.3 74.93 Favored 'General case' 0 C--O 1.211 -0.963 0 CA-C-O 117.967 -1.016 . . . . 0.0 112.392 173.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.11 -46.45 42.65 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 121.515 1.961 . . . . 0.0 111.717 -177.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.1 tt -65.06 -45.11 86.67 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.657 0.783 . . . . 0.0 109.897 173.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 35.1 p -68.14 -40.95 82.31 Favored 'General case' 0 C--O 1.222 -0.35 0 O-C-N 120.62 -1.3 . . . . 0.0 113.955 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.39 -39.85 92.75 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.582 1.553 . . . . 0.0 111.971 174.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 33.5 t -57.7 -54.07 51.0 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.574 0.75 . . . . 0.0 110.302 172.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.04 -26.54 68.6 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 172.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.19 -48.72 72.45 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 121.358 1.89 . . . . 0.0 110.809 176.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 31.4 m -71.71 -41.74 68.2 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.971 0.908 . . . . 0.0 111.468 177.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -37.54 80.1 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 117.582 -1.199 . . . . 0.0 112.577 175.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.8 m -56.29 -35.12 67.13 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 121.374 1.897 . . . . 0.0 111.197 172.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -67.26 -25.33 66.01 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 173.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -97.55 -25.25 15.22 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.982 1.313 . . . . 0.0 113.45 177.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 29.3 tp60 -89.66 -33.34 16.67 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 127.378 2.271 . . . . 0.0 112.373 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.7 p -113.66 27.63 9.4 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.405 1.482 . . . . 0.0 112.091 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -6.44 0.18 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.096 1.359 . . . . 0.0 114.226 168.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -49.12 -26.45 2.76 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 120.346 -1.471 . . . . 0.0 113.322 167.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -64.88 -27.87 69.16 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.194 1.398 . . . . 0.0 114.53 170.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -69.86 -40.96 75.44 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.315 1.046 . . . . 0.0 112.168 177.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -86.63 -6.92 58.73 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.787 0.835 . . . . 0.0 113.205 175.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -76.52 -159.95 0.14 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 125.404 1.482 . . . . 0.0 112.183 169.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.4 t 68.05 -41.15 0.44 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 128.193 2.597 . . . . 0.0 114.66 -174.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -96.51 -34.34 11.51 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.378 1.471 . . . . 0.0 112.412 170.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.474 0.757 0 C-N-CA 124.329 1.052 . . . . 0.0 112.482 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.3 p90 . . . . . 0 CA--C 1.54 0.59 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.0 m -57.72 -27.48 62.99 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.265 1.426 . . . . 0.0 114.656 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.9 p -100.84 -32.2 10.79 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.695 0.798 . . . . 0.0 112.535 171.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.25 -43.6 97.55 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.724 1.147 . . . . 0.0 112.739 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.459 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 0.1 OUTLIER -62.69 -48.71 78.12 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 172.015 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.95 -24.68 67.59 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 121.208 -0.932 . . . . 0.0 113.026 -177.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -71.96 -44.19 63.95 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.339 1.456 . . . . 0.0 111.979 170.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.26 -30.6 68.76 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.243 -0.911 . . . . 0.0 112.813 173.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.51 -49.58 74.3 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.221 1.008 . . . . 0.0 111.082 166.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.1 m -56.15 -32.21 64.07 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 174.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -60.19 -35.06 74.53 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 120.161 1.346 . . . . 0.0 112.905 173.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.87 -35.91 16.27 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.224 1.01 . . . . 0.0 112.91 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.41 -46.58 87.94 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.153 0.981 . . . . 0.0 111.756 173.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.93 -24.52 66.09 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.129 0.972 . . . . 0.0 113.193 175.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.26 -19.24 64.71 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.359 1.464 . . . . 0.0 113.0 170.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.27 70.66 1.47 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.315 1.446 . . . . 0.0 110.553 -176.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.0 p -50.05 -23.05 1.85 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.95 1.3 . . . . 0.0 114.281 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.99 -19.18 6.23 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 125.694 1.597 . . . . 0.0 114.9 169.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -39.91 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 O-C-N 120.659 -1.276 . . . . 0.0 112.413 167.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.4 t -68.88 -35.04 76.41 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.551 0.74 . . . . 0.0 110.432 176.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -34.66 70.87 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.267 -0.896 . . . . 0.0 113.273 171.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.43 -48.07 74.05 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.876 0.47 . . . . 0.0 111.933 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -34.65 78.94 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 118.49 0.586 . . . . 0.0 111.85 170.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.06 -23.31 65.36 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.807 -1.183 . . . . 0.0 113.76 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.86 -1.96 41.41 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.264 1.426 . . . . 0.0 114.025 171.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 65.7 t -136.81 94.51 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 126.822 2.049 . . . . 0.0 110.67 -168.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 t -102.29 38.13 1.74 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.019 1.328 . . . . 0.0 112.742 -173.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.42 140.28 26.19 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.598 1.559 . . . . 0.0 111.624 -176.003 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.34 -52.55 64.77 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.532 1.133 . . . . 0.0 113.339 -177.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.1 m -72.09 -26.44 62.15 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.206 1.002 . . . . 0.0 113.063 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.61 -34.58 60.59 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.017 -1.052 . . . . 0.0 111.917 172.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.94 -38.53 88.86 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.381 0.992 . . . . 0.0 111.306 172.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.6 p -66.86 -36.1 81.54 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.722 -0.611 . . . . 0.0 112.444 170.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.1 t -64.64 -40.01 94.71 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.228 1.011 . . . . 0.0 113.021 170.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.5 tt -56.95 -51.55 68.74 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.244 0.929 . . . . 0.0 109.375 169.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.11 -30.96 66.7 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 175.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.41 -54.69 21.38 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 120.887 -1.133 . . . . 0.0 111.862 171.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -71.18 -46.01 62.25 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.392 1.477 . . . . 0.0 112.4 -172.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.3 mm -71.41 -39.79 71.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 124.948 1.299 . . . . 0.0 110.644 174.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.38 -37.35 81.14 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-N 119.724 1.147 . . . . 0.0 112.455 175.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.37 -51.39 68.5 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.694 0.797 . . . . 0.0 111.95 170.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.9 t -69.23 -36.36 77.11 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.537 1.135 . . . . 0.0 113.156 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.31 -49.5 66.82 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.921 1.288 . . . . 0.0 111.402 178.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.79 91.37 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.148 0.579 . . . . 0.0 111.651 173.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -56.76 -44.37 81.72 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.813 0.845 . . . . 0.0 112.402 172.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.9 t -60.33 -35.1 74.86 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.329 1.452 . . . . 0.0 112.604 178.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.7 -10.52 55.52 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.835 1.254 . . . . 0.0 113.439 173.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.02 8.22 87.67 Favored Glycine 0 CA--C 1.543 1.808 0 C-N-CA 125.609 1.576 . . . . 0.0 114.6 -174.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.8 mm -70.24 109.27 2.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 126.716 2.006 . . . . 0.0 109.649 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.14 -10.78 53.72 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 m -68.31 8.37 0.46 Allowed 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 125.657 1.583 . . . . 0.0 113.485 170.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -39.47 -58.38 1.27 Allowed 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 121.063 1.756 . . . . 0.0 114.372 176.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.5 t -65.59 -40.85 93.15 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.9 -43.81 67.57 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.94 0.896 . . . . 0.0 112.548 -177.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.9 tp -64.86 -48.14 75.36 Favored 'General case' 0 C--O 1.216 -0.689 0 C-N-CA 125.809 1.643 . . . . 0.0 110.407 171.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.38 -41.68 72.97 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 120.557 1.526 . . . . 0.0 111.792 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -69.69 -1.21 29.54 Favored Glycine 0 CA--C 1.542 1.724 0 C-N-CA 126.406 1.955 . . . . 0.0 116.308 171.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -121.6 -27.55 4.72 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.282 1.833 . . . . 0.0 112.417 175.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.5 tp -74.28 -41.01 61.92 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 127.049 2.14 . . . . 0.0 110.4 176.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.66 -21.21 66.68 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 169.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -81.02 -39.15 26.3 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 120.863 -1.148 . . . . 0.0 111.602 172.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.36 -57.88 9.69 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 118.802 0.728 . . . . 0.0 111.344 169.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 56.4 t -67.69 -39.82 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 125.97 1.708 . . . . 0.0 112.467 -177.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.29 -27.29 73.48 Favored Glycine 0 CA--C 1.535 1.309 0 O-C-N 121.243 -0.911 . . . . 0.0 113.255 175.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -78.04 -3.72 85.15 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.968 1.27 . . . . 0.0 114.395 169.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.2 p -143.08 49.89 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.932 1.693 . . . . 0.0 110.364 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.82 124.68 8.24 Favored Glycine 0 CA--C 1.534 1.251 0 O-C-N 120.546 -1.346 . . . . 0.0 111.932 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 52.47 97.76 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 127.524 2.33 . . . . 0.0 115.134 -174.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 153.08 -27.64 0.8 Allowed Glycine 0 N--CA 1.471 0.978 0 C-N-CA 124.176 0.894 . . . . 0.0 113.897 172.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.99 -80.38 0.29 Allowed 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 118.356 -0.83 . . . . 0.0 111.441 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.7 t 153.66 162.46 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 129.342 3.057 . . . . 0.0 110.745 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.45 -27.87 1.91 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 117.409 -1.282 . . . . 0.0 113.57 163.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 38.3 m -59.19 -55.84 29.77 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 120.889 1.677 . . . . 0.0 111.834 169.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.62 -36.32 83.37 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.398 -0.814 . . . . 0.0 112.397 176.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -66.16 -53.0 42.89 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 119.328 0.967 . . . . 0.0 109.918 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -56.17 -48.36 76.49 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 125.262 1.425 . . . . 0.0 113.058 174.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.48 -49.92 73.46 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 118.056 -0.974 . . . . 0.0 110.231 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.99 -36.12 82.94 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 120.087 1.312 . . . . 0.0 112.89 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.7 mt -63.29 -54.07 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.078 1.351 . . . . 0.0 109.939 175.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.73 -52.41 65.23 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.024 0.529 . . . . 0.0 110.946 175.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 18.3 mtt-85 -48.0 -54.59 12.42 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.519 1.528 . . . . 0.0 111.338 175.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.42 -35.81 82.06 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.468 1.031 . . . . 0.0 113.373 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.98 -54.64 36.25 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.089 0.956 . . . . 0.0 111.209 173.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.459 ' HA3' ' CZ ' ' A' ' 22' ' ' PHE . . . -85.49 -18.66 59.92 Favored Glycine 0 CA--C 1.536 1.387 0 CA-C-O 118.307 -1.274 . . . . 0.0 115.322 -179.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -53.93 -44.63 70.78 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.401 2.101 . . . . 0.0 110.171 163.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -65.01 -42.3 94.58 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 122.105 -0.372 . . . . 0.0 111.859 175.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 66.9 mt -62.75 -39.04 92.92 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.593 -0.692 . . . . 0.0 112.716 178.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.636 0 C-N-CA 124.893 1.277 . . . . 0.0 112.805 172.67 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.4 t . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.657 0.265 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.89 117.95 30.99 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.35 1.06 . . . . 0.0 109.833 -177.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -129.4 28.53 5.2 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.807 1.643 . . . . 0.0 112.263 -169.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 56.74 26.74 11.76 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -147.58 -42.45 0.04 OUTLIER Glycine 0 N--CA 1.476 1.306 0 C-N-CA 124.784 1.183 . . . . 0.0 113.358 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.82 8.88 37.6 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.536 1.134 . . . . 0.0 112.706 165.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.92 -56.8 17.26 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.081 0.855 . . . . 0.0 111.245 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.4 m -62.38 -35.53 79.47 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 177.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.74 -54.21 30.32 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.822 0.849 . . . . 0.0 111.564 178.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.23 -31.78 70.58 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.515 178.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.05 -47.97 69.72 Favored 'General case' 0 C--O 1.224 -0.243 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 175.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.37 -46.0 64.77 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 171.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 39.8 m -64.6 -42.46 95.55 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 172.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.05 -43.25 83.17 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 121.635 2.016 . . . . 0.0 111.141 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.89 -58.49 8.21 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.32 1.448 . . . . 0.0 111.181 173.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.08 -34.02 67.88 Favored 'General case' 0 C--O 1.21 -1.025 0 CA-C-O 116.952 -1.499 . . . . 0.0 111.693 174.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.95 -39.82 63.49 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 121.302 1.864 . . . . 0.0 112.639 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.0 tt -68.1 -41.52 81.68 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.742 1.155 . . . . 0.0 110.006 174.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 68.2 m -60.5 -52.05 66.83 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.264 1.026 . . . . 0.0 113.32 169.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.62 -40.98 89.05 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 126.005 1.722 . . . . 0.0 110.883 -177.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 56.7 m -64.33 -42.32 96.35 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.986 170.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.73 -45.1 87.93 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 120.982 1.719 . . . . 0.0 113.719 177.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.05 -29.54 60.77 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.193 -0.942 . . . . 0.0 112.773 176.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 67.8 m -79.06 -17.03 55.95 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.085 -1.009 . . . . 0.0 113.256 168.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -65.6 -23.02 66.73 Favored 'General case' 0 C--O 1.22 -0.496 0 O-C-N 120.258 -1.526 . . . . 0.0 110.908 169.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.6 t -54.03 -38.09 64.79 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 120.81 1.641 . . . . 0.0 112.478 163.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -67.57 -28.7 68.0 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.061 -1.65 . . . . 0.0 113.985 172.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -96.02 -18.98 19.82 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -106.83 -34.4 7.26 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 127.751 2.42 . . . . 0.0 111.649 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.52 30.9 5.02 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 126.096 1.758 . . . . 0.0 110.567 174.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -57.58 -7.44 0.65 Allowed 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.069 -1.019 . . . . 0.0 113.219 174.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -44.59 -26.95 0.42 Allowed 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 170.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -97.43 -43.58 7.22 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.608 1.095 . . . . 0.0 113.284 170.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -25.79 66.28 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.232 1.013 . . . . 0.0 112.644 -178.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -67.9 -33.48 74.79 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.277 1.431 . . . . 0.0 112.87 176.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -75.58 33.66 0.11 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.43 1.492 . . . . 0.0 113.09 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.3 t -158.34 -44.99 0.06 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.932 2.093 . . . . 0.0 110.939 175.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -96.4 -31.16 12.98 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 3.2 t80 . . . . . 0 N--CA 1.474 0.752 0 C-N-CA 125.003 1.321 . . . . 0.0 111.537 -177.896 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.4 p90 . . . . . 0 CA--C 1.536 0.435 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.8 p -58.49 -38.77 78.35 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.495 1.043 . . . . 0.0 112.675 -175.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.3 m -87.18 -36.38 18.05 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.948 0.899 . . . . 0.0 113.311 171.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.17 -34.7 79.0 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.532 1.06 . . . . 0.0 112.925 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -54.56 -57.73 10.27 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.602 1.161 . . . . 0.0 110.161 163.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.36 -18.24 63.46 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -177.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -79.48 -42.61 24.9 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.467 1.507 . . . . 0.0 112.996 169.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.59 -19.61 60.25 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.429 1.092 . . . . 0.0 113.848 174.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.49 -46.2 76.96 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 120.275 -1.516 . . . . 0.0 111.29 164.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.27 -28.42 53.28 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.117 1.367 . . . . 0.0 114.554 173.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.9 m -59.56 -31.28 69.29 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.57 1.077 . . . . 0.0 113.625 175.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.64 -29.3 10.2 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.155 0.982 . . . . 0.0 113.069 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -43.7 98.43 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.014 1.326 . . . . 0.0 113.319 170.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.42 -25.12 66.61 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 172.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.91 -16.74 62.69 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.777 1.631 . . . . 0.0 113.596 170.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.8 m -126.21 69.99 1.23 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.005 1.722 . . . . 0.0 112.08 -172.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.6 t -52.89 -25.12 10.71 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 -178.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.92 -16.13 16.2 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 170.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -61.46 -34.44 61.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 120.546 1.521 . . . . 0.0 112.26 166.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.1 m -67.65 -33.33 74.74 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 120.743 -1.223 . . . . 0.0 111.232 173.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -66.36 -24.67 66.54 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 120.652 -1.28 . . . . 0.0 113.207 171.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.78 -51.62 69.2 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.718 0.807 . . . . 0.0 112.252 172.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -71.84 -35.28 69.83 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.778 0.717 . . . . 0.0 112.799 173.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.91 -25.93 68.55 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 119.502 1.046 . . . . 0.0 112.829 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.3 t -62.04 -22.17 65.52 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.719 1.608 . . . . 0.0 114.199 169.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.3 p -143.15 91.42 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.302 1.441 . . . . 0.0 112.523 -168.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 t -80.33 38.58 0.43 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.976 1.71 . . . . 0.0 114.397 -176.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m -145.67 128.93 16.75 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.787 1.635 . . . . 0.0 111.727 -175.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.45 -47.03 87.04 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.471 1.108 . . . . 0.0 113.797 -177.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.7 m -66.09 -37.19 85.16 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.789 0.836 . . . . 0.0 112.51 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.07 -25.58 47.73 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 176.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.67 -33.26 75.47 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 120.906 -1.121 . . . . 0.0 111.997 165.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -43.87 87.51 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.143 -0.973 . . . . 0.0 111.769 165.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.4 m -63.05 -38.43 91.16 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 172.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.1 tp -57.97 -52.73 64.29 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.468 1.031 . . . . 0.0 110.945 171.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.61 -38.4 84.57 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 119.298 0.954 . . . . 0.0 112.958 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -57.79 -48.56 79.35 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 119.26 0.937 . . . . 0.0 111.598 169.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.73 -54.61 32.68 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.376 1.07 . . . . 0.0 112.864 -178.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.6 mm -78.09 -32.59 17.36 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 124.022 0.929 . . . . 0.0 111.158 -176.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.38 -37.38 94.73 Favored Glycine 0 N--CA 1.469 0.882 0 C-N-CA 124.133 0.873 . . . . 0.0 113.884 175.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 tp -55.14 -47.39 75.15 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.372 0.669 . . . . 0.0 111.149 170.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.2 t -73.67 -34.57 64.97 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.766 1.226 . . . . 0.0 113.972 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.27 -53.19 52.96 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.095 0.862 . . . . 0.0 112.2 176.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.89 -49.12 74.29 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 124.544 1.138 . . . . 0.0 110.381 171.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -59.03 -41.68 88.36 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.957 1.253 . . . . 0.0 114.026 175.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.1 t -62.03 -36.76 82.56 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.167 1.387 . . . . 0.0 112.533 176.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.45 -9.25 59.76 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.675 1.19 . . . . 0.0 113.893 171.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.89 10.27 72.61 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.796 1.665 . . . . 0.0 114.826 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.5 mm -84.78 107.5 15.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 125.572 1.549 . . . . 0.0 110.291 -173.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.0 -8.86 17.7 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.6 p -68.26 -0.41 4.71 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.676 1.362 . . . . 0.0 114.676 169.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -31.62 -56.22 0.27 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.791 2.036 . . . . 0.0 114.49 177.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.3 t -60.44 -43.72 96.54 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.745 2.018 . . . . 0.0 114.41 175.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.57 -44.96 63.56 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.167 1.387 . . . . 0.0 111.791 178.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.3 tp -64.7 -43.22 94.18 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 124.291 1.036 . . . . 0.0 111.129 175.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.06 -28.45 62.58 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 120.288 1.404 . . . . 0.0 113.094 174.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -83.55 3.34 85.37 Favored Glycine 0 CA--C 1.542 1.742 0 C-N-CA 125.921 1.724 . . . . 0.0 116.084 171.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.51 -28.78 3.0 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.124 1.769 . . . . 0.0 112.995 177.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.0 tp -69.54 -41.52 75.84 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 126.734 2.013 . . . . 0.0 111.207 173.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.57 -37.16 70.18 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.475 1.11 . . . . 0.0 113.184 168.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -70.61 -24.34 62.72 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 174.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.94 -54.73 4.85 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.264 -0.897 . . . . 0.0 111.933 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.74 -33.98 67.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 121.233 -0.917 . . . . 0.0 112.066 174.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -82.24 -22.11 59.5 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.001 0.81 . . . . 0.0 114.248 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.7 -25.94 72.95 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 123.856 0.741 . . . . 0.0 113.511 171.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.8 t -134.76 31.3 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 125.647 1.579 . . . . 0.0 111.32 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.91 137.93 29.12 Favored Glycine 0 CA--C 1.534 1.246 0 O-C-N 120.804 -1.185 . . . . 0.0 111.619 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 43.05 77.31 0.06 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.402 1.881 . . . . 0.0 115.3 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -172.45 -33.45 0.03 OUTLIER Glycine 0 CA--C 1.534 1.222 0 N-CA-C 115.4 0.92 . . . . 0.0 115.4 173.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -98.31 -70.38 0.73 Allowed 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.696 1.248 . . . . 0.0 111.756 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.0 t 157.19 179.48 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 129.586 3.154 . . . . 0.0 110.667 -177.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.45 -36.49 0.57 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 127.483 2.313 . . . . 0.0 113.964 161.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.3 t -53.46 -55.24 26.92 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 124.32 1.048 . . . . 0.0 111.469 173.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.7 -43.08 94.62 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 119.371 0.987 . . . . 0.0 112.548 176.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -62.75 -50.03 72.67 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 119.558 1.072 . . . . 0.0 110.238 -178.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.3 86.7 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.729 1.212 . . . . 0.0 113.528 174.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -64.4 -42.31 96.16 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 118.782 0.719 . . . . 0.0 111.363 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.61 -41.88 75.11 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.431 1.092 . . . . 0.0 112.225 177.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 42.4 mt -58.8 -51.08 76.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 124.088 0.955 . . . . 0.0 110.612 171.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.16 -35.36 80.86 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.964 0.905 . . . . 0.0 113.011 177.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -62.69 -52.85 61.67 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-O 117.373 -1.299 . . . . 0.0 111.643 171.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.94 -37.44 78.87 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 121.002 1.728 . . . . 0.0 113.274 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -51.78 -57.92 7.92 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.525 0.73 . . . . 0.0 110.215 164.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.08 -43.45 83.34 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 125.047 1.308 . . . . 0.0 113.073 176.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -56.98 -41.87 79.19 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.748 1.774 . . . . 0.0 112.136 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -67.63 -48.89 65.45 Favored 'General case' 0 C--N 1.34 0.193 0 CA-C-N 118.674 0.67 . . . . 0.0 111.623 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 38.9 mt -66.18 -37.14 84.91 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 120.915 -1.116 . . . . 0.0 112.17 -176.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.728 0 C-N-CA 128.512 2.725 . . . . 0.0 115.104 172.751 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.2 t . . . . . 0 N--CA 1.477 0.897 0 CA-C-O 120.857 0.361 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.76 136.48 32.94 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.826 1.651 . . . . 0.0 111.392 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -139.7 36.59 2.0 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 124.328 1.051 . . . . 0.0 113.318 -170.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 52.91 32.19 12.14 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 116.305 1.965 . . . . 0.0 116.305 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -161.21 -37.06 0.02 OUTLIER Glycine 0 N--CA 1.482 1.731 0 CA-C-N 116.538 -0.301 . . . . 0.0 113.771 175.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -86.71 14.46 7.02 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 121.238 -1.154 . . . . 0.0 113.687 167.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.24 -53.35 59.12 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.657 1.183 . . . . 0.0 112.442 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 44.5 p -69.19 -36.78 77.66 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.7 -54.07 49.68 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.006 0.922 . . . . 0.0 111.784 175.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.7 mp -66.83 -32.73 74.2 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 117.875 -1.06 . . . . 0.0 112.34 175.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.17 -51.11 69.15 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 119.98 1.264 . . . . 0.0 113.449 175.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.35 -48.49 59.68 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 173.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 75.7 m -64.21 -44.37 92.13 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -67.17 -47.8 69.89 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 120.143 1.338 . . . . 0.0 111.059 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.82 90.92 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.715 1.206 . . . . 0.0 110.598 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.54 -23.81 61.83 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 175.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.24 -38.27 75.14 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 120.513 1.506 . . . . 0.0 111.066 169.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.3 -44.03 89.23 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 118.945 -0.55 . . . . 0.0 111.504 170.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.8 p -63.91 -38.06 89.69 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 118.167 -0.921 . . . . 0.0 113.165 172.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.03 -44.01 70.11 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.481 1.512 . . . . 0.0 112.252 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 41.4 t -63.42 -47.22 82.85 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 121.858 -0.526 . . . . 0.0 110.452 171.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.67 -38.3 84.46 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 175.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -57.23 -45.73 83.62 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.821 1.649 . . . . 0.0 111.987 174.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 67.1 m -71.67 -43.84 65.32 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.057 0.543 . . . . 0.0 111.568 173.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -66.03 -17.8 64.92 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 120.782 -1.199 . . . . 0.0 113.536 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 39.7 m -57.56 -21.46 38.68 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 120.575 1.534 . . . . 0.0 113.653 164.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -80.55 -34.0 35.79 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 119.688 1.131 . . . . 0.0 113.182 169.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -88.99 -38.8 14.16 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.732 1.213 . . . . 0.0 113.576 -174.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -86.63 -25.41 24.9 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.753 2.021 . . . . 0.0 112.214 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.57 33.71 5.32 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.444 1.498 . . . . 0.0 111.55 175.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -1.99 0.31 Allowed 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 170.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -50.03 -33.03 16.88 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 120.49 -1.381 . . . . 0.0 112.922 166.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -67.09 -20.9 65.88 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 173.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -72.98 -43.67 61.96 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.514 1.126 . . . . 0.0 111.663 174.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -85.4 -7.86 58.72 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.955 1.302 . . . . 0.0 113.889 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.33 -171.88 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.338 1.455 . . . . 0.0 113.057 171.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.9 t 69.17 -37.69 0.38 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 127.092 2.157 . . . . 0.0 113.832 -168.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -99.35 -40.97 7.64 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.502 1.121 . . . . 0.0 112.623 170.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 N--CA 1.476 0.843 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 176.061 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.7 m . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.29 68.42 1.63 Allowed Glycine 0 CA--C 1.538 1.489 0 C-N-CA 123.959 0.79 . . . . 0.0 114.387 174.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.08 95.26 2.92 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.652 1.181 . . . . 0.0 111.908 -177.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.5 t -154.9 40.79 0.44 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.951 1.3 . . . . 0.0 112.282 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.3 m -61.37 101.9 0.2 Allowed 'General case' 0 N--CA 1.475 0.805 0 O-C-N 120.421 -1.424 . . . . 0.0 111.335 171.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -59.87 -40.74 89.69 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.819 0.848 . . . . 0.0 111.347 177.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 50.65 54.6 10.89 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.555 1.942 . . . . 0.0 113.643 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 60.37 169.67 0.09 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 127.348 2.259 . . . . 0.0 114.034 -167.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.9 m -68.86 -37.91 79.4 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 120.211 -1.555 . . . . 0.0 113.097 -179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -102.86 133.81 47.33 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.879 1.672 . . . . 0.0 109.263 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.5 t -61.17 -42.58 98.82 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -172.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -145.94 -32.43 0.35 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.578 1.151 . . . . 0.0 113.862 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 48.66 58.77 4.92 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.48 1.912 . . . . 0.0 115.734 174.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.96 -50.76 0.14 Allowed 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 116.114 1.894 . . . . 0.0 116.114 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.64 35.44 4.2 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 123.528 1.632 . . . . 0.0 112.496 -173.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -68.24 -17.45 64.31 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.26 1.824 . . . . 0.0 115.076 -178.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.3 p -72.65 -40.14 66.59 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.758 1.163 . . . . 0.0 113.075 -176.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.6 t -74.68 -40.11 61.59 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.071 0.948 . . . . 0.0 111.406 172.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.1 79.91 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 121.392 -0.818 . . . . 0.0 113.206 176.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.432 ' CD2' ' HB2' ' A' ' 119' ' ' ALA . 14.6 t80 -52.34 -59.37 4.49 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.871 1.268 . . . . 0.0 109.641 163.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.62 -18.23 58.58 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -176.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -73.15 -45.54 56.12 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.42 1.088 . . . . 0.0 113.126 169.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.57 -23.16 56.51 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.113 -0.992 . . . . 0.0 113.091 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.98 -49.62 59.86 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.02 0.528 . . . . 0.0 111.401 161.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.6 t -57.47 -30.14 64.82 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 175.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.2 t -59.37 -41.11 88.55 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.166 -0.959 . . . . 0.0 112.737 175.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.09 -35.23 23.87 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 174.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.83 -39.91 86.69 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.447 -0.783 . . . . 0.0 112.168 176.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.0 -24.74 67.59 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.345 1.458 . . . . 0.0 113.728 173.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.91 -10.84 59.75 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.59 1.556 . . . . 0.0 112.677 171.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.8 m -133.94 58.3 1.77 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.31 1.444 . . . . 0.0 112.637 -168.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.68 -26.06 8.44 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -177.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.95 -15.64 9.53 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 172.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -40.66 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 O-C-N 120.274 -1.516 . . . . 0.0 112.915 169.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.9 m -65.91 -30.26 70.82 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.182 -0.948 . . . . 0.0 110.406 175.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -36.41 82.62 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.129 1.372 . . . . 0.0 112.416 170.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.33 -41.02 92.67 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.422 1.01 . . . . 0.0 111.962 171.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -69.96 -34.16 73.03 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 171.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.12 -24.89 65.03 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 119.291 0.95 . . . . 0.0 113.323 172.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.5 m -75.1 -15.76 60.59 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 174.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.6 m -133.21 108.35 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 124.804 1.242 . . . . 0.0 112.207 -176.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.0 p -100.91 31.76 3.45 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.936 1.694 . . . . 0.0 113.665 -171.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.4 m -136.04 128.44 30.29 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.471 1.508 . . . . 0.0 111.523 -176.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.34 -52.43 61.59 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.069 1.348 . . . . 0.0 112.653 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.1 m -66.55 -35.03 79.22 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.026 0.93 . . . . 0.0 112.822 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.73 -31.5 68.36 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.577 -0.702 . . . . 0.0 112.337 175.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.07 -36.57 83.57 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.391 -0.818 . . . . 0.0 111.962 169.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.3 m -58.98 -42.48 90.06 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.021 0.828 . . . . 0.0 111.881 168.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.8 m -64.65 -38.35 90.69 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 118.671 -0.68 . . . . 0.0 112.812 171.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.9 tt -61.89 -46.35 89.78 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.567 1.076 . . . . 0.0 110.623 173.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.07 -47.2 78.42 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 119.727 1.149 . . . . 0.0 112.005 171.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -63.06 -47.4 83.09 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 119.663 1.119 . . . . 0.0 112.559 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -63.09 -57.19 11.44 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.612 1.965 . . . . 0.0 112.821 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.8 mm -71.11 -33.7 52.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 C-N-CA 124.353 1.061 . . . . 0.0 110.631 -177.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.51 -56.73 18.44 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.696 1.141 . . . . 0.0 111.828 168.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.5 -25.95 66.47 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 118.778 1.289 . . . . 0.0 114.06 177.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.5 t -75.45 -49.96 17.26 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.656 -0.653 . . . . 0.0 111.463 173.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.71 -35.97 75.59 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.895 1.278 . . . . 0.0 112.652 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.06 -47.81 3.19 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.262 1.825 . . . . 0.0 112.452 171.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.5 ttt-85 -82.63 -28.13 30.97 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.732 1.613 . . . . 0.0 112.59 -177.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.6 m -65.29 -35.67 81.72 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.584 1.154 . . . . 0.0 113.079 169.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -88.53 -26.72 21.86 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.122 0.969 . . . . 0.0 112.928 173.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.39 -18.27 38.86 Favored Glycine 0 CA--C 1.541 1.658 0 C-N-CA 126.336 1.922 . . . . 0.0 114.316 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 4.5 mp -77.62 76.35 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 126.905 2.082 . . . . 0.0 110.375 177.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.13 -6.8 2.18 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 173.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.9 18.73 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 126.931 2.092 . . . . 0.0 114.909 174.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -13.33 10.5 Favored 'General case' 0 C--O 1.221 -0.4 0 O-C-N 120.491 -1.38 . . . . 0.0 114.424 176.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.9 t -46.09 -40.59 11.1 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.847 1.203 . . . . 0.0 113.508 170.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.69 -38.14 16.1 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.861 0.864 . . . . 0.0 112.558 173.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.0 tp -59.68 -57.91 10.87 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-N 118.532 0.606 . . . . 0.0 111.466 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.25 -40.89 71.45 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 127.019 2.128 . . . . 0.0 112.059 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -64.6 -10.86 46.2 Favored Glycine 0 CA--C 1.541 1.714 0 C-N-CA 125.373 1.463 . . . . 0.0 115.233 172.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -115.07 -27.28 7.39 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.951 1.7 . . . . 0.0 112.446 173.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.0 tp -70.5 -41.89 72.03 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 127.365 2.266 . . . . 0.0 110.579 177.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.89 -37.95 74.9 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.839 1.256 . . . . 0.0 111.991 168.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -76.31 -27.32 56.52 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.385 1.074 . . . . 0.0 112.579 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.41 -56.7 4.45 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.008 0.923 . . . . 0.0 111.121 175.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.0 p -65.02 -37.58 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.561 0.744 . . . . 0.0 112.026 177.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -80.11 -28.41 49.61 Favored Glycine 0 CA--C 1.531 1.031 0 C-N-CA 124.907 1.241 . . . . 0.0 113.45 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.67 -22.46 56.96 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 124.972 1.272 . . . . 0.0 113.897 172.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 t -129.36 31.28 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.99 1.716 . . . . 0.0 110.144 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.31 109.77 3.08 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 124.541 1.067 . . . . 0.0 111.72 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 60.53 88.21 0.08 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 127.484 2.314 . . . . 0.0 114.029 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 175.35 -29.66 0.08 OUTLIER Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.613 1.101 . . . . 0.0 114.221 176.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -102.12 -87.42 0.4 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.402 1.081 . . . . 0.0 111.197 176.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.2 t 174.01 173.29 0.18 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 127.163 2.185 . . . . 0.0 110.475 -176.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.07 -24.7 0.69 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.449 1.099 . . . . 0.0 113.452 160.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.83 -49.49 76.1 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 120.154 1.343 . . . . 0.0 112.352 171.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.08 -38.12 85.2 Favored 'General case' 0 C--O 1.224 -0.246 0 O-C-N 121.23 -0.919 . . . . 0.0 111.863 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -63.41 -48.44 77.81 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 119.555 1.07 . . . . 0.0 110.334 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.3 -40.1 86.02 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.92 1.288 . . . . 0.0 113.25 177.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -68.31 -41.91 80.2 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 119.556 1.071 . . . . 0.0 111.044 175.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.92 88.6 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.567 0.747 . . . . 0.0 111.707 175.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.0 mt -64.06 -49.69 80.39 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 CA-C-O 118.535 -0.745 . . . . 0.0 111.007 172.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.82 -41.05 79.14 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 120.392 1.451 . . . . 0.0 113.21 -178.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -63.89 -40.28 96.14 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 117.916 -1.04 . . . . 0.0 111.35 174.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -82.93 -32.82 27.01 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.815 1.189 . . . . 0.0 113.111 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -52.9 -46.05 67.84 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.681 1.192 . . . . 0.0 110.395 162.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -71.09 -38.27 63.71 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-O 117.835 -1.536 . . . . 0.0 113.844 176.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -54.71 -42.91 72.08 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 120.538 2.169 . . . . 0.0 112.459 -177.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -75.95 -43.71 43.5 Favored 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 174.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.6 tp -61.75 -39.1 90.42 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 120.676 -1.265 . . . . 0.0 111.74 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.9 -0.1 1.0 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 128.961 2.904 . . . . 0.0 115.06 170.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.1 t -57.23 -17.18 10.4 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 121.114 -0.991 . . . . 0.0 112.782 161.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 98.15 0.57 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 130.313 3.445 . . . . 0.0 111.474 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.93 -29.36 75.15 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.932 1.253 . . . . 0.0 114.037 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -137.57 -28.49 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.874 1.269 . . . . 0.0 111.781 177.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.06 128.63 34.13 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.281 1.032 . . . . 0.0 111.246 175.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -139.79 34.42 1.99 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.59 1.156 . . . . 0.0 112.133 -174.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 44.23 48.91 7.84 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.786 2.034 . . . . 0.0 114.537 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -171.9 -35.99 0.03 OUTLIER Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.087 1.327 . . . . 0.0 112.834 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -108.43 12.83 25.95 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.731 1.612 . . . . 0.0 112.359 168.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.29 -52.55 64.89 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.184 0.902 . . . . 0.0 110.328 175.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 69.5 m -63.59 -38.09 89.81 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.55 -49.65 68.09 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.559 0.744 . . . . 0.0 111.824 177.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.8 mp -63.43 -35.71 81.34 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 117.665 -1.159 . . . . 0.0 111.488 173.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.432 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . . . -65.88 -47.38 75.06 Favored 'General case' 0 N--CA 1.457 -0.103 0 CA-C-N 119.758 1.163 . . . . 0.0 112.638 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -56.13 -49.98 64.52 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 174.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.7 m -59.12 -43.5 91.95 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 173.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -49.86 75.52 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 120.1 1.318 . . . . 0.0 110.653 177.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.49 -48.04 82.87 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 124.053 0.941 . . . . 0.0 110.661 -177.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.77 -31.1 71.27 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 118.411 -0.804 . . . . 0.0 112.981 172.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -81.56 -43.98 17.94 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.867 1.212 . . . . 0.0 112.487 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.0 tt -67.86 -39.13 83.79 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.883 1.273 . . . . 0.0 109.934 173.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.9 p -66.31 -48.36 70.61 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 117.285 -1.34 . . . . 0.0 111.986 169.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -56.51 -39.55 73.51 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 121.687 2.039 . . . . 0.0 111.619 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 40.7 t -59.9 -54.17 49.32 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 117.928 -1.034 . . . . 0.0 111.749 169.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.49 -45.1 85.27 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 120.886 1.675 . . . . 0.0 113.907 177.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -62.01 -44.59 96.39 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.308 2.243 . . . . 0.0 111.925 178.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 72.7 m -76.85 -28.28 55.41 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.908 0.883 . . . . 0.0 112.44 174.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -70.84 -17.51 62.74 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-O 116.943 -1.503 . . . . 0.0 112.237 171.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 56.7 m -54.72 -32.96 60.42 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 122.246 2.294 . . . . 0.0 112.39 164.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.79 -24.37 61.73 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.897 1.279 . . . . 0.0 114.05 173.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -106.5 -13.09 15.43 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.917 1.687 . . . . 0.0 113.907 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -81.99 -35.88 28.48 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.644 2.378 . . . . 0.0 110.669 171.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.67 21.34 17.07 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.939 1.296 . . . . 0.0 112.122 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.96 15.37 0.16 Allowed 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 174.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -53.89 -24.95 17.77 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.32 1.448 . . . . 0.0 113.359 173.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -80.69 -37.23 31.14 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.286 1.434 . . . . 0.0 113.277 171.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -72.02 -39.23 69.32 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.862 0.755 . . . . 0.0 111.881 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.99 -34.72 78.14 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 121.426 -0.797 . . . . 0.0 112.155 174.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -71.35 28.94 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 126.218 1.807 . . . . 0.0 114.153 173.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.66 -39.75 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 127.128 2.171 . . . . 0.0 111.715 170.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.99 -40.82 12.1 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -82.39 -35.66 27.5 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.809 0.843 . . . . 0.0 112.011 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -60.67 -33.54 72.98 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.133 0.879 . . . . 0.0 112.913 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -76.54 -25.58 54.25 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.684 1.194 . . . . 0.0 112.598 173.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -87.98 5.14 42.23 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.264 1.425 . . . . 0.0 113.585 174.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -69.13 25.07 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 126.437 1.895 . . . . 0.0 114.609 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -105.22 15.69 26.99 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 127.467 2.307 . . . . 0.0 112.253 176.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -124.49 40.13 3.81 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.729 2.411 . . . . 0.0 110.495 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 29.9 m -50.98 103.4 0.06 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.724 2.01 . . . . 0.0 112.48 175.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -119.2 -34.9 3.73 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.691 1.196 . . . . 0.0 113.501 -172.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -143.85 -41.12 0.28 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.858 1.263 . . . . 0.0 112.593 175.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -148.82 -62.87 0.24 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.165 0.586 . . . . 0.0 112.182 177.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 19.6 p -175.22 -55.51 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 125.344 1.458 . . . . 0.0 112.354 172.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -154.52 125.06 6.97 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.205 1.802 . . . . 0.0 110.092 -175.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 47.5 m 59.88 137.13 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.222 2.209 . . . . 0.0 114.379 -169.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.88 152.3 33.48 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.158 1.383 . . . . 0.0 111.665 177.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.202 0 C-N-CA 128.148 2.579 . . . . 0.0 115.241 -178.776 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.2 p . . . . . 0 N--CA 1.474 0.754 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.24 151.46 10.89 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 125.904 1.716 . . . . 0.0 114.281 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -156.61 144.84 19.65 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.324 1.45 . . . . 0.0 110.385 175.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.7 t -174.58 -37.0 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.072 1.349 . . . . 0.0 112.075 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.3 p -109.84 128.01 55.05 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.014 1.326 . . . . 0.0 111.883 179.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -140.94 69.57 1.34 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.009 1.724 . . . . 0.0 110.018 -175.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 63.94 115.9 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 128.486 2.714 . . . . 0.0 115.013 -176.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.1 83.83 1.8 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.319 1.447 . . . . 0.0 113.017 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.9 m -137.1 141.49 42.32 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.58 1.552 . . . . 0.0 110.279 176.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 49.06 61.53 3.08 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.604 1.562 . . . . 0.0 114.182 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 t -72.13 25.03 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 125.641 1.576 . . . . 0.0 114.847 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 46.93 50.02 14.1 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.056 2.142 . . . . 0.0 114.126 -172.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.8 t -51.75 -30.12 21.42 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.737 1.615 . . . . 0.0 113.688 178.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.5 t 70.08 -39.4 0.44 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 128.134 2.573 . . . . 0.0 116.09 168.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.5 t -129.1 44.48 2.96 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 126.312 1.845 . . . . 0.0 109.518 174.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -53.07 -25.89 14.26 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.613 1.565 . . . . 0.0 114.195 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.1 p -64.39 -38.71 91.98 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.171 1.389 . . . . 0.0 113.091 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 t -83.53 -37.71 22.68 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.018 0.927 . . . . 0.0 111.706 176.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.62 -35.17 79.62 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.479 -0.763 . . . . 0.0 112.514 173.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.436 ' CE2' ' HA ' ' A' ' 119' ' ' ALA . 4.2 t80 -54.43 -59.45 4.66 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.208 1.003 . . . . 0.0 109.824 164.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.22 -18.73 63.84 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 120.759 -1.213 . . . . 0.0 113.682 -176.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -76.1 -52.32 10.38 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.561 1.144 . . . . 0.0 112.533 169.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.71 -27.42 68.32 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.83 0.852 . . . . 0.0 112.99 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.67 -41.75 61.62 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.987 1.315 . . . . 0.0 111.763 168.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.2 t -56.32 -30.16 62.2 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 176.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.4 t -57.42 -40.25 77.94 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.243 -0.91 . . . . 0.0 112.385 175.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.97 -33.32 15.61 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.822 0.849 . . . . 0.0 112.752 177.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.12 -41.82 89.13 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.859 0.864 . . . . 0.0 111.276 174.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.13 -25.85 64.59 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.82 1.248 . . . . 0.0 114.023 173.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.33 -16.14 62.96 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.977 1.311 . . . . 0.0 113.154 173.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.3 m -125.39 66.51 1.15 Allowed 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.162 1.385 . . . . 0.0 111.848 -171.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 76.5 p -49.74 -28.94 6.78 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.76 -15.97 55.74 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 173.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 tt -63.95 -36.81 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 120.295 1.407 . . . . 0.0 111.631 171.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.7 m -69.09 -31.09 69.57 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.148 -0.97 . . . . 0.0 111.075 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.34 -31.9 73.18 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.753 0.821 . . . . 0.0 112.853 170.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.02 -50.26 73.28 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.65 0.659 . . . . 0.0 110.672 173.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -67.47 -37.99 83.75 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 173.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.76 -25.86 67.72 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 119.431 1.014 . . . . 0.0 113.305 173.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.0 t -75.87 -14.8 60.28 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.148 1.379 . . . . 0.0 113.988 174.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.7 p -136.23 97.5 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 CA-C-O 122.649 1.214 . . . . 0.0 112.13 -176.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.4 m -91.51 44.43 1.18 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.712 1.605 . . . . 0.0 112.798 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.78 134.56 22.35 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.32 1.048 . . . . 0.0 111.313 177.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.57 -51.98 67.58 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.972 0.909 . . . . 0.0 112.433 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.4 m -65.02 -35.53 81.49 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.416 1.086 . . . . 0.0 113.083 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.49 -28.67 56.55 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.206 -0.934 . . . . 0.0 112.27 175.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.98 -35.25 80.59 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.929 1.24 . . . . 0.0 111.15 167.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.9 m -60.24 -42.28 94.9 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.926 0.785 . . . . 0.0 112.417 167.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.3 t -63.77 -39.74 94.99 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.324 0.649 . . . . 0.0 112.708 173.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.54 -50.16 73.78 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 121.31 -0.869 . . . . 0.0 110.652 172.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.06 73.62 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.848 1.204 . . . . 0.0 112.895 174.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -65.1 -56.0 15.51 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.297 -0.877 . . . . 0.0 111.919 173.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -64.01 -51.11 65.76 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.519 1.054 . . . . 0.0 112.919 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 45.7 mm -71.38 -38.69 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 124.237 1.015 . . . . 0.0 110.469 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.59 -34.94 91.29 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 124.285 0.945 . . . . 0.0 113.365 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 tp -54.18 -50.96 65.83 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.186 0.993 . . . . 0.0 110.762 170.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.7 t -74.86 -30.77 61.44 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.901 0.88 . . . . 0.0 113.356 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.57 -50.29 74.11 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.784 1.175 . . . . 0.0 111.389 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.64 -49.44 76.45 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.626 1.171 . . . . 0.0 112.071 169.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.59 -33.94 76.72 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.3 t -63.44 -35.62 81.04 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.701 1.6 . . . . 0.0 112.363 173.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.4 -7.75 58.19 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.602 1.161 . . . . 0.0 113.068 172.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.12 14.68 78.71 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 125.23 1.395 . . . . 0.0 114.854 -177.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 17.4 mm -75.51 113.51 14.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 125.271 1.428 . . . . 0.0 110.803 -177.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.57 -13.91 59.99 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 177.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -70.2 7.74 0.93 Allowed 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 125.585 1.554 . . . . 0.0 113.725 171.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -44.15 -52.77 7.04 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 120.913 1.688 . . . . 0.0 114.676 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.1 t -69.01 -38.7 79.37 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.345 1.058 . . . . 0.0 113.331 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.14 -44.27 65.89 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.206 1.002 . . . . 0.0 112.294 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.8 tp -62.99 -51.31 67.35 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-O 117.32 -1.324 . . . . 0.0 109.617 170.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.59 -38.39 66.67 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 121.254 1.843 . . . . 0.0 112.669 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -71.45 -0.62 39.5 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 125.498 1.523 . . . . 0.0 116.321 172.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.69 -28.85 2.94 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.616 1.966 . . . . 0.0 112.642 177.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.3 tp -64.66 -39.24 93.35 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 127.373 2.269 . . . . 0.0 110.15 171.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.16 -33.29 67.27 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.794 1.238 . . . . 0.0 113.274 167.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -38.54 52.65 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.958 1.254 . . . . 0.0 112.124 172.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.58 -49.72 72.26 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.204 0.911 . . . . 0.0 111.699 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.3 p -73.34 -40.11 56.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-N 118.506 0.594 . . . . 0.0 112.416 176.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -74.59 -28.31 63.6 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.041 0.829 . . . . 0.0 113.501 -174.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.57 -26.97 65.34 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.352 1.453 . . . . 0.0 113.801 173.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.5 t -136.27 36.48 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 125.779 1.632 . . . . 0.0 110.183 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.63 135.46 25.06 Favored Glycine 0 CA--C 1.533 1.217 0 O-C-N 120.47 -1.394 . . . . 0.0 111.669 177.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 47.78 83.13 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.1 1.76 . . . . 0.0 115.23 -176.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -178.64 -38.91 0.06 OUTLIER Glycine 0 CA--C 1.531 1.075 0 N-CA-C 115.154 0.822 . . . . 0.0 115.154 170.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.16 -74.81 0.44 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.727 0.811 . . . . 0.0 112.02 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.8 t 161.36 168.1 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 128.279 2.632 . . . . 0.0 110.078 -176.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.28 -22.39 0.4 Allowed 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 161.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -61.37 -50.63 72.12 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 120.638 1.563 . . . . 0.0 112.03 169.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.16 -38.34 82.0 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 118.31 -0.852 . . . . 0.0 112.378 173.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -68.54 -42.46 78.39 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.885 1.22 . . . . 0.0 110.784 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.12 -40.34 82.52 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.987 0.915 . . . . 0.0 112.519 172.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -64.21 -38.67 91.9 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 120.102 1.319 . . . . 0.0 111.231 173.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.24 -47.59 76.25 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.061 0.945 . . . . 0.0 112.036 172.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.6 -42.41 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.388 0.675 . . . . 0.0 110.917 177.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.64 -41.87 30.31 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.793 1.237 . . . . 0.0 113.086 -176.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 28.2 ptt180 -62.75 -39.18 93.34 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.785 1.175 . . . . 0.0 111.038 173.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -80.07 -34.26 38.27 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.017 0.826 . . . . 0.0 112.615 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.6 -50.8 67.19 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.084 0.856 . . . . 0.0 110.395 162.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.63 -40.58 98.13 Favored Glycine 0 C--N 1.339 0.739 0 CA-C-O 117.992 -1.449 . . . . 0.0 112.724 176.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -54.88 -45.32 74.62 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.761 1.78 . . . . 0.0 112.72 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -70.91 -47.4 59.34 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.688 0.676 . . . . 0.0 110.794 178.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.8 mp -62.52 -36.51 82.79 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 120.932 -1.105 . . . . 0.0 112.871 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.82 -2.77 2.75 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 127.344 2.258 . . . . 0.0 114.606 172.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.4 t -59.93 -12.23 7.35 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.615 1.098 . . . . 0.0 113.413 164.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 87.85 5.47 0.26 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 129.021 2.928 . . . . 0.0 112.355 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -82.6 -12.53 80.03 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 124.804 1.193 . . . . 0.0 113.898 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 24.0 t -140.81 -45.7 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.298 1.439 . . . . 0.0 110.684 -177.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.73 142.47 35.41 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.596 -0.69 . . . . 0.0 111.58 174.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -145.28 37.25 1.12 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.775 1.23 . . . . 0.0 112.674 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 48.23 33.56 3.81 Favored 'General case' 0 CA--C 1.559 1.289 0 N-CA-C 115.556 1.688 . . . . 0.0 115.556 175.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -166.23 -43.42 0.02 OUTLIER Glycine 0 N--CA 1.474 1.232 0 C-N-CA 125.505 1.526 . . . . 0.0 112.409 -178.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -84.52 8.31 17.02 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 167.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.42 -44.97 89.29 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.796 1.18 . . . . 0.0 112.578 -177.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 51.8 p -70.24 -39.19 75.18 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 177.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.15 -52.24 63.26 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.82 0.848 . . . . 0.0 111.425 176.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -67.49 -29.64 69.12 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-O 117.963 -1.018 . . . . 0.0 111.902 176.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.436 ' HA ' ' CE2' ' A' ' 22' ' ' PHE . . . -67.52 -51.4 51.43 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 120.374 1.443 . . . . 0.0 114.0 174.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -52.32 -49.33 51.47 Favored Glycine 0 C--N 1.338 0.691 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 173.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 63.2 m -58.67 -46.98 86.01 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 173.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -66.84 -41.23 87.75 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 121.668 2.031 . . . . 0.0 111.868 -177.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.83 -57.06 14.54 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.871 1.269 . . . . 0.0 111.02 173.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -32.37 69.6 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 117.666 -1.159 . . . . 0.0 112.044 175.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.92 -44.71 60.9 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 120.48 1.491 . . . . 0.0 113.235 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.6 -42.52 99.62 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.616 -0.677 . . . . 0.0 109.659 171.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.7 m -62.68 -31.71 72.65 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 169.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.49 -43.74 59.48 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 121.184 1.811 . . . . 0.0 111.116 -176.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 44.0 t -57.51 -50.03 74.4 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.366 165.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.07 -44.69 87.67 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 120.144 1.338 . . . . 0.0 114.21 177.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -61.03 -42.73 99.03 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.66 1.984 . . . . 0.0 112.05 176.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 74.2 m -74.97 -34.35 62.01 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.544 0.738 . . . . 0.0 112.424 175.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -72.38 -22.83 61.08 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.155 0.982 . . . . 0.0 112.177 174.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 73.3 m -58.47 -13.86 6.51 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 120.877 1.672 . . . . 0.0 113.415 163.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -99.35 -6.94 26.97 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.428 1.491 . . . . 0.0 114.209 170.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -115.82 -22.55 9.04 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.378 1.471 . . . . 0.0 113.623 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -108.64 -35.33 6.46 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 127.932 2.493 . . . . 0.0 111.116 174.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.06 34.3 4.54 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.362 1.465 . . . . 0.0 111.572 178.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -51.98 -18.16 1.27 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.532 1.133 . . . . 0.0 113.783 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -45.45 -29.62 1.16 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.972 1.309 . . . . 0.0 113.576 167.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -60.14 -23.78 64.19 Favored 'General case' 0 CA--C 1.55 0.971 0 O-C-N 120.816 -1.177 . . . . 0.0 113.795 173.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -77.78 -23.94 49.02 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.397 1.079 . . . . 0.0 113.707 175.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.72 -25.86 12.97 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.215 1.006 . . . . 0.0 112.83 177.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -71.97 34.8 0.06 Allowed 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 126.502 1.921 . . . . 0.0 113.351 170.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.5 t -150.26 -48.84 0.13 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.038 1.335 . . . . 0.0 111.023 167.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.88 -41.95 34.99 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -77.6 -38.3 48.51 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.451 -0.78 . . . . 0.0 111.574 -177.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -65.71 -27.39 68.3 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 173.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -67.02 -25.39 66.26 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.103 -0.998 . . . . 0.0 113.345 173.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -75.46 -5.47 45.22 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 172.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -75.21 17.04 0.27 Allowed 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 175.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -67.68 36.81 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 127.327 2.251 . . . . 0.0 114.189 174.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -125.93 15.87 7.97 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 128.175 2.59 . . . . 0.0 111.421 -174.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 79.9 p -60.93 165.21 4.25 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.795 1.638 . . . . 0.0 113.957 172.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -100.45 20.63 14.55 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.673 1.189 . . . . 0.0 113.203 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -70.41 33.54 0.04 OUTLIER 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 126.512 1.925 . . . . 0.0 114.736 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -58.66 -24.44 61.21 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.946 1.698 . . . . 0.0 114.0 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.1 t 51.4 47.34 25.01 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.834 1.653 . . . . 0.0 113.888 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -127.82 -87.68 0.56 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.198 1.399 . . . . 0.0 111.979 -174.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 47.6 p -98.02 4.36 49.31 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.171 1.388 . . . . 0.0 113.432 176.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 14.7 tpt85 -95.33 138.04 33.57 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 127.052 2.141 . . . . 0.0 110.934 177.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.295 0 C-N-CA 125.084 1.353 . . . . 0.0 113.237 176.493 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.55 166.24 10.92 Favored Glycine 0 N--CA 1.476 1.327 0 C-N-CA 125.349 1.452 . . . . 0.0 112.86 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -156.77 162.58 39.75 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.364 1.066 . . . . 0.0 111.849 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 36.5 m -138.58 91.93 2.58 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.944 1.298 . . . . 0.0 109.711 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.1 m -147.0 143.36 28.37 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.936 1.694 . . . . 0.0 110.855 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -115.74 -19.17 10.61 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.412 1.085 . . . . 0.0 113.711 176.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 39.23 53.37 2.2 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 127.962 2.505 . . . . 0.0 114.084 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.52 164.32 12.16 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.595 1.158 . . . . 0.0 112.668 -175.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.7 p -151.35 -49.65 0.12 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.787 1.235 . . . . 0.0 112.746 -176.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.45 113.06 8.1 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.401 1.08 . . . . 0.0 111.113 173.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.9 m -74.98 70.92 2.04 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.519 1.128 . . . . 0.0 111.496 172.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.21 -22.02 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 128.724 2.81 . . . . 0.0 117.7 -174.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . 0.271 78.9 p 42.95 31.77 0.35 Allowed 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 127.621 2.368 . . . . 0.0 116.425 177.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -154.27 -40.21 0.09 Allowed 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.2 m -115.03 20.9 14.71 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 125.258 1.423 . . . . 0.0 113.646 -177.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -56.51 -23.46 39.77 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 112.886 -1.961 . . . . 0.0 115.532 177.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 t -67.33 -37.26 83.0 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.424 1.09 . . . . 0.0 113.437 -176.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 t -84.43 -34.15 23.54 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 121.567 -0.708 . . . . 0.0 111.908 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.49 -33.15 74.52 Favored 'General case' 0 CA--C 1.559 1.308 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -47.48 -53.32 14.53 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.3 1.44 . . . . 0.0 109.562 165.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.82 -16.64 59.12 Favored 'General case' 0 CA--C 1.562 1.412 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -176.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -78.14 -42.82 30.58 Favored 'General case' 0 CA--C 1.558 1.267 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 170.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.9 -31.69 66.65 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.33 -45.36 54.83 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 126.387 1.875 . . . . 0.0 111.383 166.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.49 -27.14 46.73 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 173.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.3 t -60.4 -39.49 87.54 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.203 -0.936 . . . . 0.0 113.487 174.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.33 -29.15 15.78 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 175.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.18 -41.17 92.33 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.444 1.098 . . . . 0.0 111.753 173.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.18 -25.5 68.11 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 172.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 m -73.0 -9.44 58.73 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 126.315 1.846 . . . . 0.0 113.373 170.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.5 t -130.17 70.08 1.44 Allowed 'General case' 0 CA--C 1.533 0.321 0 O-C-N 120.29 -1.506 . . . . 0.0 110.642 -175.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.3 t -53.34 -27.32 22.86 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 174.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.57 -15.68 40.97 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 170.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.4 tt -67.44 -39.01 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 O-C-N 120.815 -1.178 . . . . 0.0 111.233 167.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.2 m -66.6 -32.89 74.51 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.78 0.832 . . . . 0.0 111.651 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -35.39 70.67 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.839 1.656 . . . . 0.0 111.829 168.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.51 -46.54 86.53 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 119.16 0.891 . . . . 0.0 110.382 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -70.05 -34.16 72.87 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 174.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.83 -32.3 71.69 Favored 'General case' 0 CA--C 1.56 1.329 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 171.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.53 -16.96 61.77 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 125.839 1.656 . . . . 0.0 115.075 173.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -140.17 102.11 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 CA-C-O 122.698 1.237 . . . . 0.0 111.506 -175.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.9 p -92.45 27.85 2.15 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 127.724 2.409 . . . . 0.0 114.837 -174.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 m -136.78 136.86 39.25 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.498 1.119 . . . . 0.0 112.191 -175.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.87 -50.98 71.98 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.8 t -69.07 -37.22 78.37 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.72 -0.613 . . . . 0.0 112.375 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.26 -30.63 66.54 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 174.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.61 -36.41 83.64 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.476 1.034 . . . . 0.0 110.906 169.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -42.51 94.65 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-O 118.386 -0.816 . . . . 0.0 111.71 166.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 64.5 m -64.62 -39.13 93.16 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 173.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 tp -56.13 -56.51 19.98 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.182 1.393 . . . . 0.0 109.143 169.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.76 -27.29 68.19 Favored 'General case' 0 CA--C 1.556 1.208 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -63.63 -59.08 5.06 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 125.757 1.623 . . . . 0.0 112.082 164.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -54.99 -46.6 75.16 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.024 0.929 . . . . 0.0 111.356 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.0 mp -80.69 -39.73 18.5 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.266 0 CA-C-O 118.157 -0.925 . . . . 0.0 112.404 -178.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.31 -35.49 78.84 Favored Glycine 0 N--CA 1.483 1.79 0 C-N-CA 124.53 1.062 . . . . 0.0 113.537 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.14 -55.73 31.17 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.085 1.354 . . . . 0.0 111.761 171.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.6 t -64.74 -33.18 75.37 Favored 'General case' 0 CA--C 1.561 1.398 0 C-N-CA 124.191 0.996 . . . . 0.0 113.169 176.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.96 -51.79 65.53 Favored 'General case' 0 C--O 1.255 1.355 0 C-N-CA 123.934 0.894 . . . . 0.0 112.355 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.1 -47.98 79.74 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.583 171.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -56.05 -45.42 79.23 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 120.814 -1.179 . . . . 0.0 112.056 176.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.4 t -61.02 -36.57 79.86 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.692 1.197 . . . . 0.0 112.431 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -78.3 -20.05 52.32 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.782 1.233 . . . . 0.0 113.081 171.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.09 6.24 45.72 Favored Glycine 0 CA--C 1.555 2.573 0 C-N-CA 125.687 1.613 . . . . 0.0 114.459 178.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.4 mt -76.01 106.33 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 127.753 2.421 . . . . 0.0 109.137 -176.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.1 -9.04 35.36 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.391 1.077 . . . . 0.0 113.846 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.4 m -67.35 -1.89 5.35 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.572 1.149 . . . . 0.0 113.96 167.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.9 p30 -38.93 -50.89 1.77 Allowed 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 -178.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.4 t -61.47 -34.63 75.77 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.913 1.285 . . . . 0.0 114.022 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.27 -42.49 23.03 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.882 0.873 . . . . 0.0 112.362 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.2 tp -60.16 -46.3 90.17 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 124.751 1.22 . . . . 0.0 111.105 174.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.32 -40.48 74.47 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.496 0.718 . . . . 0.0 111.788 176.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.63 10.32 56.41 Favored Glycine 0 CA--C 1.56 2.859 0 C-N-CA 125.91 1.719 . . . . 0.0 115.939 173.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -130.16 -34.16 1.67 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.286 1.434 . . . . 0.0 112.39 -178.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.44 -40.37 90.85 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.511 1.124 . . . . 0.0 110.417 167.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.15 -35.95 65.27 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.026 0.93 . . . . 0.0 113.414 172.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -70.42 -42.87 71.03 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.247 1.019 . . . . 0.0 111.982 174.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.33 -43.52 85.89 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 174.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.5 t -72.37 -50.46 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.938 1.695 . . . . 0.0 111.254 -178.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.2 -35.96 86.68 Favored Glycine 0 CA--C 1.544 1.896 0 C-N-CA 124.068 0.842 . . . . 0.0 112.139 174.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.95 -21.0 22.21 Favored Glycine 0 CA--C 1.546 2.026 0 C-N-CA 125.377 1.465 . . . . 0.0 116.083 173.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.2 t -131.81 15.61 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 C-N-CA 125.238 1.415 . . . . 0.0 110.282 176.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.03 128.16 45.62 Favored Glycine 0 CA--C 1.538 1.5 0 O-C-N 120.981 -1.074 . . . . 0.0 111.321 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 48.31 88.4 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 126.967 2.107 . . . . 0.0 115.032 -176.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 179.77 -34.8 0.07 OUTLIER Glycine 0 N--CA 1.479 1.553 0 CA-C-O 119.144 -0.809 . . . . 0.0 114.572 170.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.6 -98.35 0.14 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.134 0.974 . . . . 0.0 110.314 171.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 91.4 p -174.68 -178.07 1.26 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 125.675 1.59 . . . . 0.0 111.185 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.0 -29.38 0.82 Allowed 'General case' 0 CA--C 1.543 0.675 0 CA-C-O 117.408 -1.282 . . . . 0.0 114.22 161.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.5 t -62.35 -49.44 75.58 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.846 1.203 . . . . 0.0 111.747 174.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.66 -35.93 75.59 Favored 'General case' 0 CA--C 1.553 1.069 0 O-C-N 121.727 -0.608 . . . . 0.0 112.416 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -65.67 -51.03 62.66 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 118.563 0.619 . . . . 0.0 109.5 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.04 -43.31 81.84 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.918 1.287 . . . . 0.0 113.623 172.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -70.04 -39.53 75.69 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 117.717 -1.135 . . . . 0.0 112.333 177.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.13 96.8 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 124.154 0.909 . . . . 0.0 112.364 172.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 33.0 mt -61.86 -56.9 14.75 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.065 0 C-N-CA 124.496 1.119 . . . . 0.0 111.689 173.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.46 -40.96 89.7 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.338 0.655 . . . . 0.0 112.379 -177.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -64.03 -45.21 89.9 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-O 116.456 -1.735 . . . . 0.0 110.749 174.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.76 -37.29 81.9 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 121.279 1.854 . . . . 0.0 111.937 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.37 -49.28 76.69 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 169.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -68.69 -37.13 84.23 Favored Glycine 0 CA--C 1.54 1.605 0 CA-C-O 119.279 -0.734 . . . . 0.0 113.225 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -56.19 -45.16 79.89 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.62 1.568 . . . . 0.0 111.36 175.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -63.3 -39.92 95.91 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 118.322 0.51 . . . . 0.0 111.187 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.1 mp -71.14 -39.22 72.12 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.69 1.196 . . . . 0.0 111.771 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.22 91.08 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 124.31 1.044 . . . . 0.0 113.257 170.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.0 m -65.0 -46.46 81.32 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.886 1.674 . . . . 0.0 112.28 175.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -71.79 -51.4 22.81 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.441 1.096 . . . . 0.0 111.714 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 127.39 11.62 3.33 Favored Glycine 0 CA--C 1.547 2.09 0 N-CA-C 114.932 0.733 . . . . 0.0 114.932 -174.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.5 t -71.28 -42.51 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 C-N-CA 123.592 0.757 . . . . 0.0 109.92 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.8 mp -66.97 140.08 57.72 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.724 171.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -144.94 22.28 1.58 Allowed 'General case' 0 CA--C 1.562 1.408 0 C-N-CA 126.783 2.033 . . . . 0.0 112.134 -172.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 53.56 43.38 31.3 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 125.685 1.594 . . . . 0.0 113.481 174.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -163.37 -40.65 0.02 OUTLIER Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.276 0.941 . . . . 0.0 113.073 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.6 10.76 29.06 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.237 1.415 . . . . 0.0 112.155 167.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.4 -49.66 76.69 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 120.935 1.698 . . . . 0.0 111.051 178.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 54.4 p -65.76 -37.53 86.61 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 176.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.85 -53.79 45.12 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.839 0.855 . . . . 0.0 111.543 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.6 mp -62.09 -35.88 80.02 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 116.811 -1.566 . . . . 0.0 111.991 172.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.77 -52.77 61.9 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 119.089 0.859 . . . . 0.0 113.045 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.89 -47.39 65.88 Favored Glycine 0 CA--C 1.56 2.875 0 O-C-N 125.073 1.483 . . . . 0.0 111.795 173.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 71.7 m -62.0 -43.69 98.3 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 116.294 -1.812 . . . . 0.0 115.457 173.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.41 -47.03 80.71 Favored 'General case' 0 CA--C 1.502 -0.889 0 O-C-N 124.39 1.056 . . . . 0.0 110.765 178.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -52.88 -55.18 25.09 Favored 'General case' 0 C--O 1.247 0.953 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 173.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -64.64 -29.62 70.63 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 126.573 2.421 . . . . 0.0 111.338 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -79.97 -45.41 18.52 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.767 1.167 . . . . 0.0 111.96 -176.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.6 tt -61.25 -46.81 88.87 Favored 'General case' 0 CA--C 1.555 1.142 0 O-C-N 124.731 1.269 . . . . 0.0 109.408 171.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 22.2 p -70.17 -32.96 71.15 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-O 118.126 -0.94 . . . . 0.0 113.536 174.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.24 -40.56 90.33 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 121.078 1.763 . . . . 0.0 112.21 173.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.9 t -59.33 -47.5 85.16 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 116.179 -1.867 . . . . 0.0 110.296 168.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.65 -41.78 95.65 Favored 'General case' 0 CA--C 1.563 1.47 0 CA-C-N 120.784 1.629 . . . . 0.0 114.382 175.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -56.23 -49.71 73.34 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 125.816 1.646 . . . . 0.0 111.121 170.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.1 t -71.86 -27.25 62.75 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.459 1.104 . . . . 0.0 111.829 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -66.74 -36.17 81.83 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 120.459 1.481 . . . . 0.0 112.29 172.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.6 t -60.03 -16.77 33.81 Favored 'General case' 0 CA--C 1.56 1.344 0 CA-C-N 119.47 1.032 . . . . 0.0 113.143 167.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -99.9 -7.58 25.09 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 126.242 1.817 . . . . 0.0 115.203 171.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -116.36 -22.37 8.83 Favored 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 124.445 1.098 . . . . 0.0 113.522 -177.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.19 -16.53 12.55 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 126.852 2.061 . . . . 0.0 112.381 173.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.3 m -131.49 31.7 4.28 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.389 2.276 . . . . 0.0 110.862 -177.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -11.29 0.41 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.623 1.169 . . . . 0.0 113.884 174.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -47.19 -37.28 9.91 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 124.853 1.261 . . . . 0.0 112.613 162.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -58.8 -33.55 70.48 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 125.425 1.49 . . . . 0.0 114.234 174.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -68.95 -50.32 50.2 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.387 0.675 . . . . 0.0 111.141 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -69.34 -41.21 76.93 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 118.522 -0.751 . . . . 0.0 111.451 174.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -74.89 34.26 0.1 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.182 1.793 . . . . 0.0 113.38 172.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 15.3 t -147.4 -47.69 0.17 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.402 1.481 . . . . 0.0 110.515 166.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.18 -46.81 22.08 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 177.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -73.39 -37.97 65.8 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 121.627 -0.671 . . . . 0.0 112.468 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -65.05 -30.85 71.84 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 174.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -67.9 -25.1 65.33 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 173.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -88.83 -3.02 58.87 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.408 1.083 . . . . 0.0 113.038 174.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . 0.443 ' C ' ' H ' ' A' ' 153' ' ' GLN . . . -75.32 9.71 1.96 Allowed 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 125.182 1.393 . . . . 0.0 114.026 179.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -62.67 21.0 0.01 OUTLIER 'General case' 0 CA--C 1.567 1.611 0 C-N-CA 126.756 2.022 . . . . 0.0 114.574 176.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . 0.443 ' H ' ' C ' ' A' ' 151' ' ' ALA . 1.1 pt20 -114.97 17.39 16.9 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 128.272 2.629 . . . . 0.0 112.331 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 9.7 t -110.85 176.08 5.17 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.656 1.983 . . . . 0.0 110.949 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -74.44 9.16 1.84 Allowed 'General case' 0 CA--C 1.567 1.621 0 C-N-CA 125.25 1.42 . . . . 0.0 113.879 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -81.15 32.34 0.33 Allowed 'General case' 0 CA--C 1.562 1.424 0 C-N-CA 125.891 1.676 . . . . 0.0 113.275 -176.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -55.62 154.28 6.89 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 125.632 1.573 . . . . 0.0 112.471 177.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 18.3 t -87.52 -36.7 17.46 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.79 123.63 18.95 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.467 0.707 . . . . 0.0 111.493 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 3.3 t 46.45 53.98 9.13 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 125.405 1.482 . . . . 0.0 114.534 -176.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -135.47 126.51 27.85 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.73 1.612 . . . . 0.0 109.867 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.518 0 CA-C-O 116.401 -1.761 . . . . 0.0 114.843 173.442 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.4 m . . . . . 0 N--CA 1.471 0.593 0 N-CA-C 110.716 -0.105 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.13 -165.13 54.89 Favored Glycine 0 CA--C 1.537 1.44 0 O-C-N 121.806 -0.559 . . . . 0.0 112.852 -170.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.33 63.32 0.37 Allowed 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 125.644 1.578 . . . . 0.0 113.603 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.6 p -69.81 55.75 0.13 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 127.72 2.408 . . . . 0.0 114.107 177.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.9 t 83.31 109.18 0.06 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 128.983 2.913 . . . . 0.0 111.654 -178.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -137.27 76.13 1.57 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.866 1.666 . . . . 0.0 110.719 -174.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -149.52 162.36 40.31 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.896 1.678 . . . . 0.0 111.128 173.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.32 147.5 40.22 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.465 1.106 . . . . 0.0 112.71 174.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.0 p -93.23 -58.57 2.27 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.936 1.088 . . . . 0.0 113.936 -172.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 33.12 71.05 0.1 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 128.198 2.599 . . . . 0.0 115.626 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.6 t -148.36 -54.77 0.2 Allowed 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.65 81.61 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -172.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.4 t 42.27 40.67 1.85 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.978 2.111 . . . . 0.0 115.843 174.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.08 -42.73 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 64.9 m -121.41 34.43 5.2 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.188 1.395 . . . . 0.0 112.173 -174.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -59.12 -21.55 59.47 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.801 1.24 . . . . 0.0 113.933 177.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.5 p -55.6 -36.22 66.68 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.759 1.223 . . . . 0.0 113.95 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.9 m -93.21 -30.71 15.06 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.48 0.712 . . . . 0.0 112.838 171.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.18 -43.41 98.89 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 120.016 1.28 . . . . 0.0 112.11 177.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -48.55 79.94 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.412 0.685 . . . . 0.0 110.281 172.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.89 -22.42 64.18 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -175.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.71 -35.71 22.34 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.489 1.116 . . . . 0.0 111.725 172.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.18 -29.03 66.94 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.226 -0.921 . . . . 0.0 113.18 170.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.35 -49.77 63.65 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.122 0.969 . . . . 0.0 111.439 165.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.9 m -58.68 -25.24 62.63 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 175.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.0 t -60.4 -43.31 96.79 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.706 1.139 . . . . 0.0 111.913 172.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.02 -34.59 26.25 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 176.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.79 -39.99 90.92 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.593 0.757 . . . . 0.0 111.538 175.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.97 -17.13 64.47 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.09 1.356 . . . . 0.0 114.13 171.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.99 -9.12 59.67 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.443 1.497 . . . . 0.0 112.694 172.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.8 t -124.66 73.8 1.29 Allowed 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.581 1.552 . . . . 0.0 111.122 -177.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.7 m -55.36 -29.38 58.27 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.751 -1.218 . . . . 0.0 113.588 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.2 -9.84 49.95 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 173.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.2 tt -66.0 -40.61 87.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 CA-C-N 120.717 1.598 . . . . 0.0 111.678 166.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.0 m -62.75 -28.65 70.12 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 121.638 -0.663 . . . . 0.0 111.615 176.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -30.08 70.3 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.08 0.952 . . . . 0.0 113.421 173.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.26 -50.76 72.36 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.024 0.829 . . . . 0.0 110.705 170.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -69.91 -30.95 68.49 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.586 -0.696 . . . . 0.0 112.65 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.03 -29.94 70.88 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 121.312 -0.867 . . . . 0.0 112.955 172.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -20.22 35.52 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.467 1.107 . . . . 0.0 113.551 171.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.4 t -114.91 83.24 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.9 1.68 . . . . 0.0 110.744 -171.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.7 m -91.72 32.56 1.09 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.877 1.671 . . . . 0.0 113.749 -175.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.44 140.47 31.96 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.374 1.47 . . . . 0.0 111.664 -176.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.98 -59.16 5.47 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.663 1.185 . . . . 0.0 112.678 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.9 t -64.11 -34.06 77.2 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.577 0.751 . . . . 0.0 112.487 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.58 -34.61 74.39 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.009 -1.057 . . . . 0.0 112.637 175.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.37 96.75 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.326 0.966 . . . . 0.0 110.66 169.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.8 m -58.78 -42.65 89.52 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.582 0.753 . . . . 0.0 112.162 170.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.6 m -65.47 -40.72 93.49 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.338 1.055 . . . . 0.0 112.683 176.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 tt -62.73 -49.5 74.8 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 118.738 0.699 . . . . 0.0 110.036 173.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.82 -37.58 84.98 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.172 -0.955 . . . . 0.0 113.09 176.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -60.13 -57.45 12.78 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.47 -1.394 . . . . 0.0 111.397 171.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -59.21 -51.52 69.64 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.555 1.07 . . . . 0.0 112.761 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 25.8 mm -73.71 -36.78 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 124.4 1.08 . . . . 0.0 111.218 -175.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.23 -34.33 87.8 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 125.031 1.3 . . . . 0.0 113.252 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.97 -49.48 76.66 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.057 0.943 . . . . 0.0 110.108 168.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 t -66.59 -34.85 78.8 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 175.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.23 -52.01 51.95 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.949 1.3 . . . . 0.0 111.705 178.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.77 -46.4 70.97 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.404 0.682 . . . . 0.0 110.971 170.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -60.25 -38.54 83.77 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.5 t -62.97 -33.53 75.58 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.326 1.451 . . . . 0.0 112.701 177.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -85.75 -7.56 58.69 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.832 1.253 . . . . 0.0 113.127 171.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.12 10.17 84.19 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 125.495 1.521 . . . . 0.0 114.515 -176.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.1 mm -72.76 103.63 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 C-N-CA 126.098 1.759 . . . . 0.0 110.159 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.83 -14.44 33.31 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 178.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.7 p -66.81 -2.27 4.89 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 170.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -31.68 -56.87 0.28 Allowed 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 116.01 1.856 . . . . 0.0 116.01 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.6 t -61.4 -41.17 96.72 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.648 1.579 . . . . 0.0 114.018 176.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.3 -44.23 59.5 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.207 1.403 . . . . 0.0 112.035 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.6 tp -63.08 -46.44 87.41 Favored 'General case' 0 C--O 1.22 -0.478 0 C-N-CA 123.941 0.897 . . . . 0.0 110.806 173.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.57 -40.83 72.46 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.95 1.25 . . . . 0.0 111.712 176.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -70.78 -4.41 53.81 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 125.447 1.499 . . . . 0.0 115.897 172.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -119.02 -22.53 7.21 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.71 2.004 . . . . 0.0 112.881 177.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.5 tp -73.43 -36.54 65.96 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.923 1.689 . . . . 0.0 110.622 176.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.83 -24.69 62.35 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 165.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -43.22 36.04 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.281 1.4 . . . . 0.0 111.787 170.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.02 -35.77 81.34 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.124 0.874 . . . . 0.0 112.39 176.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 64.3 t -89.71 -35.26 7.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.805 1.242 . . . . 0.0 112.747 -178.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -77.65 -32.3 46.74 Favored Glycine 0 N--CA 1.47 0.939 0 CA-C-N 119.249 0.931 . . . . 0.0 113.027 176.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -64.31 -20.24 65.1 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.788 1.185 . . . . 0.0 113.819 169.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.8 t -136.95 53.86 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.952 1.701 . . . . 0.0 109.828 176.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.46 117.91 6.02 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 121.249 -0.907 . . . . 0.0 111.184 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 56.21 112.24 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 127.243 2.217 . . . . 0.0 115.092 -169.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 164.08 -37.94 0.31 Allowed Glycine 0 N--CA 1.473 1.121 0 O-C-N 121.192 -0.943 . . . . 0.0 114.328 171.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -101.26 -75.27 0.59 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.289 1.036 . . . . 0.0 110.707 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.6 p 169.92 179.97 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 127.511 2.324 . . . . 0.0 111.499 177.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.39 -31.19 1.57 Allowed 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 162.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.2 m -66.91 -32.58 73.93 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.809 1.64 . . . . 0.0 113.553 175.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.62 -47.41 69.73 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 119.235 0.925 . . . . 0.0 111.42 171.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.65 -46.68 74.93 Favored 'General case' 0 C--O 1.221 -0.442 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -178.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.4 -53.46 44.79 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.387 1.475 . . . . 0.0 113.542 172.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -68.62 -38.51 80.61 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.11 -0.947 . . . . 0.0 111.681 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.92 -37.9 89.18 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.86 1.209 . . . . 0.0 112.672 174.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.3 mt -64.62 -54.48 29.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 126.091 1.756 . . . . 0.0 110.353 174.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.16 -49.22 77.76 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.311 0.644 . . . . 0.0 110.92 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.1 mtt-85 -54.62 -56.88 14.46 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.834 1.253 . . . . 0.0 111.473 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.21 81.19 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 120.381 1.446 . . . . 0.0 113.47 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.11 -47.61 82.72 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.557 -0.714 . . . . 0.0 112.5 171.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -84.01 -23.26 52.88 Favored Glycine 0 CA--C 1.532 1.113 0 N-CA-C 115.141 0.816 . . . . 0.0 115.141 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -53.52 -40.18 65.24 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.988 1.394 . . . . 0.0 109.833 163.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.15 -34.42 68.49 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 175.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.41 -39.62 94.2 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 120.941 -1.099 . . . . 0.0 111.528 172.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.75 -43.05 80.81 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.467 1.507 . . . . 0.0 111.758 174.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.1 m -65.88 -44.22 86.0 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.602 1.561 . . . . 0.0 112.907 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -75.64 -19.24 59.33 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 96.61 19.15 28.16 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.901 1.238 . . . . 0.0 115.377 177.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.2 t -94.4 -29.0 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 125.291 1.436 . . . . 0.0 111.954 -177.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 17.4 tp -100.61 123.0 44.23 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.141 1.776 . . . . 0.0 109.653 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -141.48 41.65 1.74 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.357 1.463 . . . . 0.0 111.209 -173.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 59.28 13.33 3.04 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 -177.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -112.1 -37.09 1.55 Allowed Glycine 0 N--CA 1.471 1.03 0 C-N-CA 124.984 1.278 . . . . 0.0 113.536 -176.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.85 32.18 6.31 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.63 1.972 . . . . 0.0 110.48 174.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.06 -58.43 7.93 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.85 1.26 . . . . 0.0 111.874 175.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 25.5 p -67.93 -32.24 72.56 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 176.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.57 -54.34 20.71 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.468 0.576 . . . . 0.0 112.034 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.44 -44.24 65.2 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-O 117.337 -1.316 . . . . 0.0 111.96 178.085 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -74.36 -35.64 63.55 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 120.908 1.686 . . . . 0.0 113.04 -176.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.9 -52.23 50.19 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.17 -1.172 . . . . 0.0 110.17 166.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 70.6 m -63.29 -36.73 84.64 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-O 117.709 -1.139 . . . . 0.0 114.073 175.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -68.29 -45.91 71.76 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 121.593 1.997 . . . . 0.0 111.13 177.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.22 -51.51 69.47 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.76 0.824 . . . . 0.0 111.589 172.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -31.55 72.09 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 118.319 -0.848 . . . . 0.0 112.961 175.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -79.35 -44.88 20.69 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 119.87 1.214 . . . . 0.0 111.505 -177.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.4 tt -62.4 -44.24 96.91 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.094 0.957 . . . . 0.0 109.98 172.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.0 p -67.01 -45.21 78.23 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-O 117.845 -1.074 . . . . 0.0 112.686 174.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.81 -39.75 90.15 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 120.936 1.698 . . . . 0.0 112.114 174.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 37.2 m -59.3 -43.81 92.59 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-O 117.449 -1.263 . . . . 0.0 110.66 169.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.8 -41.56 97.91 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 121.108 1.776 . . . . 0.0 113.677 170.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -61.51 -41.2 96.96 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.831 1.196 . . . . 0.0 111.934 176.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 74.9 m -78.75 -31.23 46.18 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.777 1.231 . . . . 0.0 112.42 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -67.57 -20.25 65.37 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 117.277 -1.344 . . . . 0.0 112.093 172.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 70.3 m -53.38 -30.14 38.31 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 121.04 1.746 . . . . 0.0 113.325 164.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -77.56 -37.32 50.91 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.717 0.807 . . . . 0.0 112.981 172.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -81.34 -38.49 26.62 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -178.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -74.53 -24.91 59.03 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.775 1.63 . . . . 0.0 112.847 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.15 24.64 11.26 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.882 1.673 . . . . 0.0 111.512 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -6.07 3.63 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -51.7 -33.02 32.44 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.852 1.661 . . . . 0.0 112.933 169.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -84.19 -43.36 15.02 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 118.007 -0.997 . . . . 0.0 112.489 167.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -54.44 -29.17 48.62 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 -173.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -41.83 81.09 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.898 0.772 . . . . 0.0 112.521 172.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -76.32 155.18 34.44 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.079 -1.013 . . . . 0.0 110.738 166.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.2 t 65.54 -13.62 0.13 Allowed 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 116.32 1.97 . . . . 0.0 116.32 -176.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -106.33 -35.4 7.16 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.917 1.235 . . . . 0.0 112.769 168.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -83.61 -32.92 25.47 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.345 -0.847 . . . . 0.0 112.39 177.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -71.24 -37.76 71.98 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 121.06 -1.025 . . . . 0.0 112.308 174.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -75.23 -9.25 58.38 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.739 1.215 . . . . 0.0 113.346 174.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -65.21 -10.99 36.11 Favored 'General case' 0 CA--C 1.55 0.955 0 O-C-N 120.812 -1.18 . . . . 0.0 113.371 167.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -90.04 2.64 54.98 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.949 1.3 . . . . 0.0 113.465 169.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -93.26 16.8 12.32 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.348 1.459 . . . . 0.0 113.968 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.11 60.06 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.899 0 O-C-N 121.166 -0.959 . . . . 0.0 111.564 161.076 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 71.6 p -61.76 143.1 56.77 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 120.852 -1.155 . . . . 0.0 111.235 172.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -99.16 27.61 5.0 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.558 1.143 . . . . 0.0 112.19 -176.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -102.88 9.33 38.91 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.202 1.801 . . . . 0.0 113.102 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -61.32 129.64 42.23 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.362 1.065 . . . . 0.0 111.378 174.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 19.3 m 53.01 -160.95 0.11 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.132 1.373 . . . . 0.0 113.916 -175.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -122.85 34.05 5.24 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 125.711 1.604 . . . . 0.0 111.988 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 3.3 m -146.77 -42.69 0.19 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.882 1.673 . . . . 0.0 113.674 -177.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -72.24 113.99 9.87 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.67 1.188 . . . . 0.0 109.652 178.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.641 0 C-N-CA 126.154 1.782 . . . . 0.0 114.771 -173.497 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.06 79.36 0.14 Allowed Glycine 0 CA--C 1.539 1.57 0 C-N-CA 124.962 1.268 . . . . 0.0 114.732 171.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 61.63 -179.45 0.12 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.337 1.855 . . . . 0.0 113.357 -168.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.3 t -78.55 62.53 3.16 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 123.041 1.401 . . . . 0.0 111.737 175.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 90.0 p -58.03 158.23 7.01 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.826 1.251 . . . . 0.0 112.421 174.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 50.81 74.67 0.22 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.222 1.409 . . . . 0.0 112.167 -167.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.25 95.97 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 127.414 2.285 . . . . 0.0 114.727 -176.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.65 170.51 15.65 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.819 1.248 . . . . 0.0 113.429 -173.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.7 p -134.9 165.75 24.6 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.412 1.885 . . . . 0.0 111.551 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.3 mp0 61.82 161.61 0.07 Allowed 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 126.866 2.066 . . . . 0.0 113.502 -165.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.7 t -151.59 -38.94 0.12 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.802 1.241 . . . . 0.0 113.559 -175.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.15 32.4 4.51 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.899 1.679 . . . . 0.0 111.226 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.4 p -64.16 42.9 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 130.01 3.324 . . . . 0.0 115.683 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 t -148.72 -36.93 0.18 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.755 2.022 . . . . 0.0 112.01 -178.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -157.11 36.83 0.29 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.076 0.95 . . . . 0.0 113.347 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 48.9 p90 -51.18 -26.35 6.73 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 120.625 -1.297 . . . . 0.0 114.248 177.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.2 m -54.23 -27.8 37.0 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 175.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.0 p -102.35 -31.04 10.7 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.706 0.685 . . . . 0.0 112.396 170.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.95 -42.12 97.63 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.46 1.027 . . . . 0.0 112.228 176.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.454 ' CE1' ' HA3' ' A' ' 101' ' ' GLY . 0.2 OUTLIER -64.94 -47.86 76.18 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 118.642 0.655 . . . . 0.0 110.511 173.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.43 -20.54 63.78 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.093 -1.004 . . . . 0.0 113.272 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -89.94 -36.73 14.83 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.009 1.324 . . . . 0.0 112.259 171.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.03 -26.86 66.98 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 120.768 -1.208 . . . . 0.0 113.232 171.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.04 -46.24 52.86 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.001 0.92 . . . . 0.0 111.731 162.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 t -58.85 -31.17 68.27 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.207 1.003 . . . . 0.0 113.456 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.6 t -57.06 -38.9 73.93 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 121.384 -0.823 . . . . 0.0 112.521 173.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.7 -35.78 16.56 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.302 1.041 . . . . 0.0 113.31 177.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tp -61.2 -42.61 98.89 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.929 1.291 . . . . 0.0 111.495 176.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.28 -22.84 65.63 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.672 1.189 . . . . 0.0 113.595 171.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -17.02 62.14 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.911 1.284 . . . . 0.0 113.292 175.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -142.93 88.15 2.03 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.239 1.015 . . . . 0.0 112.331 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.4 t -52.46 -21.09 3.35 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.634 1.574 . . . . 0.0 114.603 177.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.06 -24.14 65.98 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 120.332 -1.48 . . . . 0.0 114.496 173.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -36.32 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 O-C-N 120.819 -1.176 . . . . 0.0 111.046 169.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.9 m -69.44 -36.3 76.51 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 120.892 -1.13 . . . . 0.0 112.009 173.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -32.7 69.44 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.063 -1.023 . . . . 0.0 112.312 169.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.62 -49.85 73.74 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.776 0.83 . . . . 0.0 112.413 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -70.22 -35.53 73.94 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 118.697 -0.668 . . . . 0.0 111.611 172.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.92 -23.81 67.49 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 120.183 1.356 . . . . 0.0 114.063 -177.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.4 m -66.18 -3.55 5.88 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.124 1.37 . . . . 0.0 114.646 169.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -142.97 155.65 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 126.516 1.926 . . . . 0.0 111.027 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 64.5 p -146.57 31.79 0.97 Allowed 'General case' 0 N--CA 1.479 0.985 0 O-C-N 120.532 -1.355 . . . . 0.0 113.456 -172.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.9 t -142.33 137.82 30.82 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.503 1.521 . . . . 0.0 110.814 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.3 -43.6 88.17 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -177.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.2 m -72.89 -27.78 62.1 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.208 1.003 . . . . 0.0 113.533 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.36 -30.84 27.12 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.126 -0.984 . . . . 0.0 111.958 173.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.93 -32.86 74.77 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.208 -0.933 . . . . 0.0 112.027 168.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.7 p -65.07 -38.17 89.92 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.275 -0.891 . . . . 0.0 112.338 168.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.1 t -66.88 -35.67 80.55 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.453 1.024 . . . . 0.0 113.534 171.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 22.2 tp -59.7 -59.49 5.35 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.757 0.823 . . . . 0.0 109.938 169.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.92 -26.13 68.18 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -177.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -61.14 -61.59 2.45 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.86 0.864 . . . . 0.0 110.294 166.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -61.84 -51.13 69.49 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.015 0.926 . . . . 0.0 113.3 -177.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.7 mm -68.64 -36.11 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 124.067 0.947 . . . . 0.0 110.747 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.38 -40.1 91.62 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-N 119.602 1.092 . . . . 0.0 113.306 176.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.44 -48.82 79.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.435 1.094 . . . . 0.0 110.354 171.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.0 t -66.38 -38.38 87.39 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 176.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.98 -51.8 59.73 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.471 1.108 . . . . 0.0 111.484 177.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.52 -49.0 68.51 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.076 0.95 . . . . 0.0 111.513 173.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -57.04 -47.64 80.43 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.63 0.772 . . . . 0.0 112.525 174.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.5 t -57.29 -36.46 71.08 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.351 1.461 . . . . 0.0 112.656 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 8.6 mt -79.9 -33.94 39.48 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.396 1.478 . . . . 0.0 113.016 175.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.73 2.19 19.21 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 126.081 1.8 . . . . 0.0 114.779 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.3 mp -68.17 107.14 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 C-N-CA 125.607 1.563 . . . . 0.0 110.057 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.56 -9.88 55.83 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 173.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.2 t -68.7 -0.82 5.75 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.186 0.994 . . . . 0.0 113.328 166.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.8 p30 -35.12 -51.39 0.54 Allowed 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.4 t -65.13 -42.61 93.7 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.706 1.602 . . . . 0.0 114.228 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.81 -40.86 60.84 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.222 1.009 . . . . 0.0 111.567 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.6 tp -62.3 -42.94 99.79 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 125.045 1.338 . . . . 0.0 111.518 172.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.71 -41.34 70.17 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 120.474 1.488 . . . . 0.0 111.81 175.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -74.34 2.54 44.92 Favored Glycine 0 CA--C 1.545 1.965 0 C-N-CA 125.622 1.582 . . . . 0.0 115.973 172.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -124.38 -34.09 2.95 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.736 1.614 . . . . 0.0 112.807 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.57 -41.48 98.96 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.74 1.616 . . . . 0.0 110.561 167.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.61 -37.04 67.61 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.531 1.133 . . . . 0.0 112.811 171.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -74.28 -27.32 60.68 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.298 1.039 . . . . 0.0 113.124 176.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.7 -57.12 4.03 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.198 0.908 . . . . 0.0 111.619 171.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.0 p -67.1 -32.13 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 O-C-N 121.429 -0.794 . . . . 0.0 112.527 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -85.96 -26.25 35.11 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 124.675 1.131 . . . . 0.0 112.748 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -65.24 -25.54 71.17 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 124.226 0.917 . . . . 0.0 113.349 168.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 t -134.19 41.57 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 125.599 1.56 . . . . 0.0 110.833 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -90.15 153.86 23.21 Favored Glycine 0 CA--C 1.536 1.36 0 O-C-N 121.063 -1.023 . . . . 0.0 112.672 178.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 39.03 66.66 0.52 Allowed 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.684 1.994 . . . . 0.0 115.294 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -173.74 -35.55 0.04 OUTLIER Glycine 0 N--CA 1.475 1.256 0 N-CA-C 115.694 1.038 . . . . 0.0 115.694 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.39 -74.85 0.44 Allowed 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.051 0.926 . . . . 0.0 111.952 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.7 t 162.3 172.76 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 128.847 2.859 . . . . 0.0 110.099 -176.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.31 -34.33 0.32 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.76 1.624 . . . . 0.0 114.069 157.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -59.13 -45.63 90.45 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.292 0.951 . . . . 0.0 111.576 176.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.71 -37.75 67.7 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 118.004 -0.998 . . . . 0.0 112.634 173.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -63.61 -51.8 63.67 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 120.223 1.374 . . . . 0.0 110.053 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.87 -48.9 74.74 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.389 1.476 . . . . 0.0 113.101 172.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -65.12 -38.93 92.23 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 119.352 0.978 . . . . 0.0 111.954 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.57 -46.32 76.39 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.754 1.161 . . . . 0.0 112.249 175.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 51.5 mt -59.3 -52.69 57.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 126.192 1.797 . . . . 0.0 110.405 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.86 -49.14 66.64 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.493 1.117 . . . . 0.0 112.454 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -58.69 -43.15 89.93 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.313 0.96 . . . . 0.0 111.003 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.36 88.12 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 119.629 1.104 . . . . 0.0 112.797 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -52.69 -47.77 67.0 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.366 0.666 . . . . 0.0 111.414 172.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.454 ' HA3' ' CE1' ' A' ' 22' ' ' PHE . . . -83.2 -20.26 61.02 Favored Glycine 0 CA--C 1.537 1.422 0 CA-C-O 118.247 -1.307 . . . . 0.0 115.762 177.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -55.72 -45.3 77.97 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 120.348 2.074 . . . . 0.0 109.87 169.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -62.81 -44.68 95.52 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 76.2 mt -59.57 -41.51 90.35 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.505 1.048 . . . . 0.0 112.109 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.17 -38.21 89.84 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.186 1.394 . . . . 0.0 112.13 174.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.2 m -67.65 -43.61 79.88 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.605 1.562 . . . . 0.0 112.799 175.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -72.35 -41.4 66.5 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.418 1.087 . . . . 0.0 112.537 177.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 97.16 21.18 21.12 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 123.863 0.744 . . . . 0.0 114.265 -172.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.01 -31.08 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 118.708 1.254 . . . . 0.0 110.977 163.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 15.7 tp -94.08 122.48 36.64 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.817 1.647 . . . . 0.0 109.548 173.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -131.1 26.19 4.9 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.82 1.248 . . . . 0.0 112.75 -172.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 60.79 25.65 15.5 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.805 1.642 . . . . 0.0 115.205 -177.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -135.62 -27.66 0.43 Allowed Glycine 0 N--CA 1.477 1.372 0 C-N-CA 125.342 1.448 . . . . 0.0 114.221 178.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -114.28 31.78 6.37 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.35 1.86 . . . . 0.0 111.17 171.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.51 -54.3 48.44 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.154 1.382 . . . . 0.0 112.867 177.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 52.8 p -69.24 -32.43 71.64 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.29 -54.72 21.51 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.107 0.563 . . . . 0.0 111.614 175.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.55 -51.01 55.82 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.394 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -73.99 -31.91 63.18 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.953 1.252 . . . . 0.0 113.11 -175.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -60.85 -45.68 96.04 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 166.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.4 t -63.49 -42.35 98.53 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.286 1.043 . . . . 0.0 112.294 173.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.22 -43.38 95.15 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 120.423 1.465 . . . . 0.0 111.891 178.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.67 -56.18 25.21 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.732 1.213 . . . . 0.0 111.785 171.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.7 ptt85 -62.15 -28.32 69.57 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 118.698 -0.668 . . . . 0.0 112.243 177.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.98 -38.94 64.0 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 124.384 1.074 . . . . 0.0 111.322 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -40.12 83.61 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 119.105 0.866 . . . . 0.0 111.571 164.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.5 m -62.97 -51.86 65.22 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.943 0.792 . . . . 0.0 111.919 172.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.82 -40.08 94.62 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.707 1.203 . . . . 0.0 112.626 -177.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 95.9 p -68.5 -40.85 80.69 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-O 117.31 -1.328 . . . . 0.0 111.239 171.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.14 -42.0 97.77 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 121.442 1.928 . . . . 0.0 114.042 172.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -57.99 -37.17 73.75 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.285 1.434 . . . . 0.0 111.922 175.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 74.8 m -82.76 -37.74 24.19 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.458 1.103 . . . . 0.0 113.127 173.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -67.35 -15.51 63.72 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.414 1.486 . . . . 0.0 112.317 176.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 35.6 t -49.68 -38.63 33.51 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 120.272 1.396 . . . . 0.0 112.088 162.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -21.04 64.51 Favored 'General case' 0 CA--C 1.551 0.996 0 O-C-N 120.366 -1.459 . . . . 0.0 114.212 172.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -112.6 -16.73 12.77 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 126.089 1.756 . . . . 0.0 113.969 -177.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -103.95 -24.54 13.24 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 127.0 2.12 . . . . 0.0 111.904 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 15.4 m -114.43 21.43 14.6 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.489 1.916 . . . . 0.0 111.407 175.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -63.01 15.3 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.461 1.504 . . . . 0.0 114.74 174.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -50.27 -28.41 7.68 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 126.003 1.721 . . . . 0.0 114.031 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -77.61 -49.43 14.61 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.201 1.401 . . . . 0.0 112.853 168.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -73.64 -22.4 60.0 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -174.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.85 -26.37 37.03 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.313 1.445 . . . . 0.0 113.416 175.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -58.83 142.71 49.65 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.069 0.85 . . . . 0.0 111.517 -178.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.5 t 85.85 -32.23 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 128.712 2.805 . . . . 0.0 113.344 -169.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -97.5 -48.5 5.25 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.907 0.883 . . . . 0.0 112.216 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.75 -35.94 67.59 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.61 1.164 . . . . 0.0 112.806 177.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -61.55 -33.77 74.42 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.692 0.678 . . . . 0.0 112.198 178.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -80.43 -15.04 57.74 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.567 1.547 . . . . 0.0 113.353 173.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -100.82 6.5 43.81 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 125.883 1.673 . . . . 0.0 113.039 175.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -64.62 6.42 0.22 Allowed 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 126.341 1.856 . . . . 0.0 114.953 176.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -68.0 -0.31 4.28 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 126.674 1.989 . . . . 0.0 114.486 171.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -108.99 60.44 0.6 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.142 2.177 . . . . 0.0 109.696 175.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 9.5 p -59.47 96.65 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 126.192 1.797 . . . . 0.0 113.084 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -84.61 16.14 3.38 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.468 1.507 . . . . 0.0 114.125 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -68.19 39.52 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 127.158 2.183 . . . . 0.0 114.186 172.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -65.17 171.79 3.48 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 127.286 2.234 . . . . 0.0 112.036 175.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 24.2 m -103.63 -31.89 9.68 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -177.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -93.74 166.23 12.31 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.65 1.18 . . . . 0.0 111.479 171.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 8.2 t 64.43 -48.91 0.31 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 128.304 2.641 . . . . 0.0 115.739 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.18 160.45 30.41 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.365 1.466 . . . . 0.0 112.743 173.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.557 1.215 0 C-N-CA 125.758 1.623 . . . . 0.0 114.302 -174.212 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.3 p . . . . . 0 N--CA 1.471 0.615 0 CA-C-O 121.027 0.441 . . . . 0.0 111.284 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.91 101.09 0.82 Allowed Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.459 1.028 . . . . 0.0 112.02 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.24 159.08 43.6 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.344 1.457 . . . . 0.0 110.79 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.3 t -150.83 140.48 21.68 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.325 1.05 . . . . 0.0 111.397 175.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.5 m -151.71 78.81 1.26 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.672 1.589 . . . . 0.0 110.419 -177.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -145.26 98.57 3.18 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.668 0.787 . . . . 0.0 110.999 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -139.78 145.26 38.0 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.6 1.56 . . . . 0.0 110.841 177.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -155.31 173.68 16.29 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.187 1.795 . . . . 0.0 110.258 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 t -146.0 113.42 6.28 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.645 0.778 . . . . 0.0 110.756 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -158.82 59.8 0.43 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.854 2.062 . . . . 0.0 108.914 -178.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 p -69.96 62.89 0.2 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.562 1.545 . . . . 0.0 112.316 174.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 53.76 40.86 32.01 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 126.991 2.117 . . . . 0.0 114.276 -174.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . 0.322 59.0 p 49.02 48.93 20.23 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.902 2.081 . . . . 0.0 115.637 -178.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.5 p -155.05 155.0 33.33 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.831 1.652 . . . . 0.0 112.397 176.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.47 15.41 1.01 Allowed 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 126.185 1.794 . . . . 0.0 115.557 -175.223 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -56.83 -21.43 29.0 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.376 2.271 . . . . 0.0 114.21 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.4 t -72.42 -37.18 68.69 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.782 1.233 . . . . 0.0 112.48 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.0 t -83.64 -38.92 20.91 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.957 0.903 . . . . 0.0 111.578 173.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.8 -30.83 71.12 Favored 'General case' 0 CA--C 1.55 0.967 0 O-C-N 121.129 -0.982 . . . . 0.0 113.307 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.458 ' CD2' ' HB2' ' A' ' 119' ' ' ALA . 12.6 t80 -52.67 -55.42 22.72 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.942 1.297 . . . . 0.0 109.822 162.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.24 -19.95 65.0 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -172.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -78.78 -39.9 34.66 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.426 1.091 . . . . 0.0 113.332 170.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.55 -31.64 71.0 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.014 -1.054 . . . . 0.0 112.545 173.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -52.79 -48.56 66.78 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.172 0.989 . . . . 0.0 110.835 163.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.99 -30.94 38.09 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 175.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.97 -37.93 81.05 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.92 1.236 . . . . 0.0 113.182 175.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.67 -32.46 14.73 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.732 0.813 . . . . 0.0 112.733 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.88 -43.33 94.83 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.532 0.733 . . . . 0.0 110.739 171.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.13 -22.06 66.37 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.574 1.149 . . . . 0.0 113.97 173.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.28 -13.7 61.98 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.721 1.208 . . . . 0.0 112.732 172.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.5 t -135.18 82.85 1.98 Allowed 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 126.02 1.728 . . . . 0.0 110.085 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.4 t -53.69 -25.47 18.4 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.09 0.956 . . . . 0.0 113.081 175.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.5 -19.48 9.86 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 169.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.5 tp -59.12 -42.06 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-N 120.038 1.29 . . . . 0.0 111.997 168.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.7 t -69.06 -36.75 78.01 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.806 0.843 . . . . 0.0 109.827 175.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -62.54 -28.14 69.65 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.04 -1.038 . . . . 0.0 113.635 173.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.46 -51.65 68.55 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.789 0.836 . . . . 0.0 111.772 171.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -45.04 95.26 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 118.705 -0.664 . . . . 0.0 110.493 172.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.14 -20.28 57.69 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -65.55 -22.99 66.76 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.443 1.497 . . . . 0.0 114.057 173.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.87 158.2 39.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 126.92 2.088 . . . . 0.0 110.565 -179.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.16 39.53 1.77 Allowed 'General case' 0 N--CA 1.477 0.903 0 O-C-N 120.687 -1.258 . . . . 0.0 112.222 -174.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 m -144.16 135.73 25.86 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.572 1.549 . . . . 0.0 111.419 -175.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.52 -45.86 84.49 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.474 1.51 . . . . 0.0 113.429 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.31 -36.6 58.23 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.604 0.762 . . . . 0.0 112.022 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.43 -30.95 70.83 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.13 -0.982 . . . . 0.0 112.926 174.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.24 86.66 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.435 -0.79 . . . . 0.0 112.19 169.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -41.99 85.0 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.275 0.63 . . . . 0.0 111.342 168.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.6 m -65.75 -39.88 91.53 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 172.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 22.5 tp -57.2 -54.09 50.71 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 120.102 1.319 . . . . 0.0 110.279 171.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.54 -37.25 85.36 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.153 -0.967 . . . . 0.0 112.775 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -61.53 -50.99 70.46 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.985 1.266 . . . . 0.0 111.265 173.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -62.02 -46.88 87.25 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.268 1.427 . . . . 0.0 112.513 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 26.2 mm -84.38 -36.8 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 124.045 0.938 . . . . 0.0 111.4 -175.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.51 -32.43 68.76 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 125.122 1.344 . . . . 0.0 113.013 172.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 tp -57.2 -50.99 71.11 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 117.734 0.767 . . . . 0.0 111.225 169.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.8 t -70.02 -33.54 72.14 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.236 1.014 . . . . 0.0 113.037 177.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.21 -52.62 61.53 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.314 1.046 . . . . 0.0 111.976 177.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.87 -45.69 82.31 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.415 0.686 . . . . 0.0 110.802 173.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.2 ttt85 -59.62 -40.62 88.18 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.5 t -62.45 -34.83 77.57 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.885 1.674 . . . . 0.0 112.416 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -85.87 -12.77 49.86 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.977 1.311 . . . . 0.0 112.449 174.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.49 6.26 80.96 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.929 1.728 . . . . 0.0 114.47 -176.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 44.9 mm -68.28 108.02 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 126.514 1.926 . . . . 0.0 109.8 175.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.84 -6.08 35.29 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.332 1.053 . . . . 0.0 113.752 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.9 m -79.84 18.51 0.79 Allowed 'General case' 0 C--O 1.223 -0.342 0 C-N-CA 125.44 1.496 . . . . 0.0 112.47 170.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -43.59 -51.51 6.86 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.63 1.172 . . . . 0.0 112.943 172.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.4 t -64.55 -43.97 92.26 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 177.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.37 -43.41 70.17 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.918 0.887 . . . . 0.0 111.94 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.3 tp -63.92 -45.5 88.95 Favored 'General case' 0 C--O 1.214 -0.77 0 C-N-CA 124.902 1.281 . . . . 0.0 110.865 171.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.3 -34.62 66.67 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 121.29 1.859 . . . . 0.0 111.868 176.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.62 -2.31 68.94 Favored Glycine 0 CA--C 1.545 1.96 0 C-N-CA 125.809 1.671 . . . . 0.0 116.315 170.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.95 -24.79 5.51 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 126.636 1.975 . . . . 0.0 112.885 176.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.7 tp -74.25 -41.69 60.88 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 126.983 2.113 . . . . 0.0 109.94 175.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.12 -29.83 23.6 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.837 1.655 . . . . 0.0 113.248 166.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -83.77 -35.55 24.25 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.329 1.052 . . . . 0.0 112.489 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.0 -51.14 27.23 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.697 -0.627 . . . . 0.0 111.272 173.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.6 p -65.24 -38.53 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.304 0.641 . . . . 0.0 111.653 176.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -76.03 -25.79 65.86 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.663 1.125 . . . . 0.0 113.043 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.07 -20.95 60.94 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.25 1.405 . . . . 0.0 113.811 170.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 t -132.25 38.71 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.757 1.623 . . . . 0.0 110.258 174.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.36 89.28 0.08 OUTLIER Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.885 1.231 . . . . 0.0 112.574 176.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 67.07 104.34 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 127.998 2.519 . . . . 0.0 113.403 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 168.13 -21.23 0.09 OUTLIER Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.672 1.13 . . . . 0.0 114.113 -176.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -120.32 -71.77 0.72 Allowed 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 117.461 -1.257 . . . . 0.0 112.243 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.4 t 156.61 -179.54 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 128.819 2.848 . . . . 0.0 110.702 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -43.54 -29.53 0.48 Allowed 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 125.241 1.416 . . . . 0.0 113.599 161.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.7 m -64.02 -37.37 87.16 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 121.343 1.883 . . . . 0.0 113.729 173.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.99 89.43 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 119.098 0.863 . . . . 0.0 111.692 171.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -74.85 -44.98 46.16 Favored 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 123.287 0.635 . . . . 0.0 109.499 -177.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.39 -53.33 59.38 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 126.798 2.039 . . . . 0.0 111.423 173.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.64 -37.64 82.73 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 117.71 -1.138 . . . . 0.0 111.841 177.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.56 -48.22 73.15 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-N 120.547 1.521 . . . . 0.0 111.057 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 66.5 mt -59.97 -47.69 90.7 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.424 0 C-N-CA 125.536 1.534 . . . . 0.0 110.112 175.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.15 -38.4 75.48 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.257 0.935 . . . . 0.0 113.483 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -63.43 -56.72 13.91 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 120.692 -1.255 . . . . 0.0 109.465 171.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.99 -35.14 76.04 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.965 1.257 . . . . 0.0 114.267 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -52.2 -62.78 1.42 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.515 1.126 . . . . 0.0 109.923 166.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.56 -30.04 75.78 Favored Glycine 0 CA--C 1.532 1.119 0 CA-C-O 119.137 -0.813 . . . . 0.0 114.398 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -56.73 -47.47 79.94 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.778 1.631 . . . . 0.0 109.93 175.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -66.15 -41.18 90.76 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.53 -41.21 93.33 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.556 0.742 . . . . 0.0 111.874 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.62 -32.02 73.08 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.468 1.907 . . . . 0.0 112.913 172.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.2 m -74.39 -47.47 33.84 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.42 1.488 . . . . 0.0 112.16 175.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -68.88 -50.57 48.6 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.596 1.158 . . . . 0.0 111.639 177.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 122.99 6.6 7.6 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.634 1.111 . . . . 0.0 114.575 -174.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.65 -39.61 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 CA-C-N 118.86 1.33 . . . . 0.0 110.676 167.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.69 125.42 34.39 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.218 1.007 . . . . 0.0 109.791 178.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -136.41 25.89 3.17 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.988 1.315 . . . . 0.0 111.628 -173.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 50.96 43.71 28.7 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.473 1.509 . . . . 0.0 114.054 -177.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -153.78 -42.31 0.02 OUTLIER Glycine 0 N--CA 1.474 1.205 0 C-N-CA 124.221 0.915 . . . . 0.0 112.778 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.05 9.95 42.46 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.343 1.457 . . . . 0.0 112.478 168.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.31 -52.47 65.49 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.699 1.136 . . . . 0.0 110.954 -178.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.1 t -62.34 -39.4 92.98 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.081 -1.012 . . . . 0.0 113.461 175.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.28 -52.22 65.62 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.428 0.691 . . . . 0.0 111.824 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.51 -30.99 67.9 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 117.542 -1.218 . . . . 0.0 112.281 175.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.458 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . . . -64.78 -52.38 57.22 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 120.389 1.449 . . . . 0.0 112.563 177.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -52.41 -49.6 50.94 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 172.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 34.8 m -59.76 -38.66 82.39 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 173.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -66.76 -47.64 71.59 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 121.246 1.839 . . . . 0.0 111.975 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -59.15 -56.52 21.09 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 123.824 0.85 . . . . 0.0 111.243 174.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -32.81 68.13 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 119.039 -0.505 . . . . 0.0 111.728 174.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.84 -49.66 67.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 120.198 1.363 . . . . 0.0 111.649 176.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.95 -36.09 80.38 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.662 0.785 . . . . 0.0 112.347 172.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.94 -43.24 79.59 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 118.619 -0.705 . . . . 0.0 111.14 175.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.35 -45.08 77.41 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.458 1.503 . . . . 0.0 112.339 176.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.3 p -62.94 -42.57 99.85 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 117.624 -1.179 . . . . 0.0 111.022 173.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.01 -43.38 95.8 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 120.878 1.672 . . . . 0.0 114.293 172.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -59.47 -44.96 92.9 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.164 1.785 . . . . 0.0 111.467 175.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 69.9 m -72.8 -35.83 67.45 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 123.346 0.658 . . . . 0.0 111.399 174.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -63.03 -17.14 61.9 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 120.108 -1.62 . . . . 0.0 113.291 172.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 46.1 m -57.32 -26.28 60.66 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 120.504 1.502 . . . . 0.0 113.187 163.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -48.48 45.03 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.061 0.944 . . . . 0.0 111.46 167.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.98 -32.07 61.6 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -174.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -70.93 -29.89 66.05 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.688 1.195 . . . . 0.0 112.547 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 66.3 m -120.11 31.19 6.62 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.382 1.873 . . . . 0.0 110.374 -176.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.96 0.68 4.18 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 178.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -46.89 -30.05 2.32 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.782 2.033 . . . . 0.0 113.639 174.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -111.71 -29.67 7.62 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.325 1.05 . . . . 0.0 113.745 171.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -56.87 -28.72 62.14 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.38 1.072 . . . . 0.0 111.883 -176.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -50.84 -27.18 6.84 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 170.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -133.23 37.82 3.35 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.822 1.649 . . . . 0.0 111.547 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.74 -31.58 0.09 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.546 1.138 . . . . 0.0 113.384 176.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -97.56 -44.64 6.73 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 125.36 1.464 . . . . 0.0 111.522 174.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -35.75 73.29 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 118.96 0.8 . . . . 0.0 112.037 176.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -75.8 -28.14 58.22 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 174.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -85.39 -23.45 27.95 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.206 1.002 . . . . 0.0 113.01 176.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -70.12 10.11 0.48 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.038 2.135 . . . . 0.0 113.543 170.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.44 -11.58 11.13 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.185 1.394 . . . . 0.0 114.215 170.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -109.95 24.74 12.63 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.193 1.797 . . . . 0.0 112.708 175.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -69.52 49.95 0.09 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.525 1.53 . . . . 0.0 113.056 167.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 13.9 p -55.62 122.59 11.69 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.489 -1.382 . . . . 0.0 111.545 171.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -83.66 26.18 0.71 Allowed 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 124.903 1.281 . . . . 0.0 112.909 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -88.64 12.95 13.34 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.499 1.92 . . . . 0.0 113.32 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -88.73 148.28 24.05 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.985 1.314 . . . . 0.0 111.67 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 30.3 p -143.44 61.61 1.39 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.309 1.444 . . . . 0.0 111.794 -173.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -134.51 -61.27 0.77 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.373 1.069 . . . . 0.0 112.587 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 20.3 p -164.92 60.36 0.13 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.639 1.176 . . . . 0.0 112.237 -176.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.19 99.47 6.25 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.902 1.281 . . . . 0.0 110.994 -174.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.307 0 C-N-CA 127.216 2.206 . . . . 0.0 114.007 -174.639 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.06 71.46 0.04 OUTLIER Glycine 0 N--CA 1.469 0.844 0 O-C-N 120.514 -1.367 . . . . 0.0 113.146 -177.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -146.83 166.14 27.6 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.023 1.329 . . . . 0.0 111.555 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.0 t -74.33 151.96 39.69 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.82 0.848 . . . . 0.0 111.587 172.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.78 140.66 49.17 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.965 1.306 . . . . 0.0 110.669 176.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -102.24 63.27 0.89 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.667 1.187 . . . . 0.0 110.943 -178.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.97 172.58 10.7 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.992 0.917 . . . . 0.0 112.181 171.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.89 -179.41 5.93 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.915 1.686 . . . . 0.0 110.798 177.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -72.11 46.97 0.14 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.894 1.677 . . . . 0.0 113.663 176.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -154.88 137.57 15.23 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.808 2.043 . . . . 0.0 109.994 177.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.96 57.87 0.71 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.592 1.157 . . . . 0.0 109.034 174.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.64 49.67 8.08 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.679 1.992 . . . . 0.0 114.154 -175.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.87 43.48 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 126.945 2.098 . . . . 0.0 116.278 -176.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.01 -37.81 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 128.02 2.528 . . . . 0.0 112.448 -177.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.0 p -135.18 29.75 3.34 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.681 1.992 . . . . 0.0 112.289 -176.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -52.35 -21.58 3.71 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 125.793 1.637 . . . . 0.0 114.148 172.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 98.0 p -66.19 -37.14 84.88 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.923 1.238 . . . . 0.0 113.402 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.3 p -90.75 -37.91 13.37 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.365 1.066 . . . . 0.0 111.753 176.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.65 -29.8 70.41 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.746 0.818 . . . . 0.0 113.194 174.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.412 ' CD2' ' HB2' ' A' ' 119' ' ' ALA . 10.6 t80 -53.04 -59.92 3.93 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.997 1.319 . . . . 0.0 109.822 163.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.17 -11.26 28.89 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -172.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.94 -46.98 49.46 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.627 1.571 . . . . 0.0 112.706 169.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.33 -23.78 57.3 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.4 1.08 . . . . 0.0 112.95 174.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -53.62 -46.55 70.51 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.309 0.644 . . . . 0.0 110.027 164.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.01 -29.7 44.42 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 173.559 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.9 m -60.81 -36.01 77.97 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 120.099 1.318 . . . . 0.0 113.165 176.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.68 -33.98 14.84 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.053 0.941 . . . . 0.0 112.458 176.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.3 -41.34 96.83 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.538 0.735 . . . . 0.0 112.081 173.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.83 -21.08 66.45 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.222 1.409 . . . . 0.0 113.556 172.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.63 -14.31 59.99 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.251 1.421 . . . . 0.0 112.435 171.25 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.8 m -141.71 69.9 1.33 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.493 1.517 . . . . 0.0 112.132 -174.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.1 p -54.98 -19.12 6.08 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 175.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.29 -21.46 3.52 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.451 1.5 . . . . 0.0 114.144 167.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -42.74 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 119.319 0.963 . . . . 0.0 112.292 171.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.9 m -67.25 -29.89 69.64 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.928 0.891 . . . . 0.0 110.421 178.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.2 -33.76 76.18 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.576 1.15 . . . . 0.0 113.494 171.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.95 -46.89 82.7 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.505 0.593 . . . . 0.0 111.233 175.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -69.76 -28.44 65.78 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 113.04 0.755 . . . . 0.0 113.04 174.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.03 -20.85 64.14 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 119.196 0.907 . . . . 0.0 113.051 171.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.0 t -73.7 -29.44 62.28 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.777 1.231 . . . . 0.0 113.33 176.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -109.86 153.49 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 126.27 1.828 . . . . 0.0 110.97 178.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.13 41.49 1.18 Allowed 'General case' 0 N--CA 1.48 1.064 0 O-C-N 120.595 -1.315 . . . . 0.0 112.614 -175.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 m -144.26 135.96 25.94 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.825 1.65 . . . . 0.0 110.528 -174.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.82 -48.99 79.44 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.107 0.963 . . . . 0.0 113.021 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -36.94 69.58 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.178 0.991 . . . . 0.0 112.484 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.63 -32.56 68.1 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.653 -1.28 . . . . 0.0 112.877 175.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.84 -38.5 89.04 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.373 -0.83 . . . . 0.0 111.495 170.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.63 -39.9 95.29 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.491 0.587 . . . . 0.0 112.289 170.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.1 t -60.83 -46.82 89.06 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 118.344 -0.836 . . . . 0.0 111.841 170.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 tt -60.72 -43.79 97.42 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 120.269 1.395 . . . . 0.0 112.209 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.92 -40.95 77.29 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 120.948 -1.095 . . . . 0.0 113.22 170.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -64.36 -49.16 72.74 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.302 0.956 . . . . 0.0 111.394 170.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.79 -45.58 85.66 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.88 1.672 . . . . 0.0 112.61 -171.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 10.0 mm -86.19 -35.93 9.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 125.791 1.636 . . . . 0.0 109.317 -179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.92 -38.23 88.04 Favored Glycine 0 N--CA 1.477 1.394 0 C-N-CA 125.77 1.652 . . . . 0.0 113.597 172.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.4 -47.5 72.66 Favored 'General case' 0 C--O 1.224 -0.243 0 C-N-CA 123.221 0.608 . . . . 0.0 110.851 167.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 t -69.08 -33.9 74.26 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.01 -49.73 75.86 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 121.1 1.773 . . . . 0.0 111.666 173.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.84 -48.3 72.09 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 119.235 -0.412 . . . . 0.0 112.092 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -62.42 -37.13 84.65 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.95 1.3 . . . . 0.0 114.334 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.1 t -59.51 -36.61 76.43 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.066 1.746 . . . . 0.0 112.094 173.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 79.0 mt -88.97 -11.99 42.8 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.052 1.341 . . . . 0.0 113.212 175.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.96 7.37 70.65 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 126.414 1.959 . . . . 0.0 114.756 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 25.9 mm -65.35 107.59 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 126.384 1.874 . . . . 0.0 109.922 176.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.9 -10.77 55.91 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.401 1.08 . . . . 0.0 113.775 175.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.6 m -70.85 2.15 4.63 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-O 117.914 -1.041 . . . . 0.0 112.759 166.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.3 p30 -40.22 -55.61 2.12 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 120.767 1.621 . . . . 0.0 114.572 173.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.8 t -64.74 -41.26 96.06 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.438 1.095 . . . . 0.0 113.449 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.27 -43.19 57.92 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.5 1.12 . . . . 0.0 111.987 -177.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -47.84 76.41 Favored 'General case' 0 C--O 1.216 -0.658 0 C-N-CA 126.737 2.015 . . . . 0.0 109.961 173.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.4 -42.62 61.57 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 120.637 1.562 . . . . 0.0 112.115 171.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -70.88 -2.93 48.83 Favored Glycine 0 CA--C 1.542 1.756 0 C-N-CA 125.722 1.63 . . . . 0.0 116.208 172.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -116.91 -26.76 6.79 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 127.397 2.279 . . . . 0.0 112.533 174.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.88 -44.84 68.94 Favored 'General case' 0 CA--C 1.523 -0.076 0 C-N-CA 126.502 1.921 . . . . 0.0 110.335 174.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.68 -27.55 28.34 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.08 1.352 . . . . 0.0 112.782 168.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -37.35 50.33 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.789 -1.194 . . . . 0.0 112.247 174.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.37 -51.94 31.95 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.723 0.692 . . . . 0.0 111.754 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.0 p -69.06 -35.47 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 O-C-N 121.622 -0.674 . . . . 0.0 111.941 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.9 -19.0 79.3 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 124.275 0.941 . . . . 0.0 112.771 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -74.91 -9.29 83.48 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 125.349 1.452 . . . . 0.0 114.217 168.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.4 p -137.13 16.56 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.028 1.331 . . . . 0.0 112.67 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -56.98 111.28 2.68 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 124.792 1.187 . . . . 0.0 112.117 -178.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 56.11 105.77 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.964 2.105 . . . . 0.0 114.637 -169.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 166.84 -43.8 0.26 Allowed Glycine 0 N--CA 1.472 1.034 0 O-C-N 121.371 -0.831 . . . . 0.0 113.558 171.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -89.57 -86.88 0.18 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.992 0.917 . . . . 0.0 110.615 174.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.1 p 167.36 -176.72 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 127.564 2.346 . . . . 0.0 111.47 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.04 -26.87 0.49 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 117.295 -1.336 . . . . 0.0 114.043 162.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.6 p -64.37 -48.02 77.07 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 121.376 1.898 . . . . 0.0 111.503 173.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.08 -32.76 69.49 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 117.881 -1.057 . . . . 0.0 111.926 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 -69.86 -52.56 23.83 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 120.012 1.278 . . . . 0.0 109.223 176.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.7 -41.96 82.77 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.248 1.419 . . . . 0.0 113.672 175.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -71.54 -44.09 65.22 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-O 118.295 -0.859 . . . . 0.0 110.748 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.33 -33.52 74.84 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 120.528 1.513 . . . . 0.0 112.088 174.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 32.3 mt -68.73 -58.86 4.52 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 C-N-CA 126.54 1.936 . . . . 0.0 109.391 173.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.48 -44.21 95.06 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 120.599 1.545 . . . . 0.0 113.021 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.5 ptm85 -62.18 -43.01 99.79 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.871 -1.143 . . . . 0.0 112.262 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.23 -37.9 69.06 Favored 'General case' 0 N--CA 1.46 0.075 0 CA-C-N 119.799 1.181 . . . . 0.0 110.966 176.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.13 -36.06 65.36 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 117.376 -1.297 . . . . 0.0 110.544 174.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -86.91 -27.62 28.32 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 125.349 1.452 . . . . 0.0 115.405 171.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.55 -41.62 81.34 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.508 1.654 . . . . 0.0 109.382 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -65.66 -42.59 91.2 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.33 -36.38 71.53 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.793 -0.567 . . . . 0.0 111.549 178.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.09 -31.48 72.69 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.697 1.199 . . . . 0.0 112.992 170.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.2 m -80.75 -48.61 12.27 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.574 1.949 . . . . 0.0 112.042 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -68.97 -46.55 67.84 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.614 1.166 . . . . 0.0 111.886 177.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 114.44 8.33 16.82 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.793 1.187 . . . . 0.0 114.452 -173.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 74.2 t -57.62 -34.1 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 118.865 1.332 . . . . 0.0 110.382 167.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.407 HD13 ' CD2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -79.77 138.31 37.23 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.614 0.766 . . . . 0.0 111.909 171.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -132.84 23.25 4.25 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.408 1.483 . . . . 0.0 112.348 -174.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 49.35 51.54 16.13 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.596 1.159 . . . . 0.0 113.602 -177.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -166.14 -47.39 0.02 OUTLIER Glycine 0 N--CA 1.472 1.089 0 C-N-CA 124.127 0.87 . . . . 0.0 113.109 -176.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.49 12.94 17.08 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.704 1.201 . . . . 0.0 112.401 165.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.09 -56.43 20.91 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 119.953 1.251 . . . . 0.0 110.295 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 36.5 m -66.83 -35.73 80.72 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.67 -51.24 58.32 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.994 0.918 . . . . 0.0 111.759 177.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.08 -27.79 65.93 Favored 'General case' 0 C--O 1.218 -0.592 0 C-N-CA 124.318 1.047 . . . . 0.0 111.382 176.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.412 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . . . -72.44 -54.48 9.22 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 119.507 1.049 . . . . 0.0 113.117 178.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -52.7 -45.74 60.08 Favored Glycine 0 CA--C 1.527 0.781 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 172.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.9 p -63.49 -41.87 98.56 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 116.954 -1.498 . . . . 0.0 113.399 174.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -62.53 -46.39 88.59 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 121.967 2.167 . . . . 0.0 113.72 176.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.32 -56.33 23.22 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.445 1.098 . . . . 0.0 111.711 174.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.04 -32.66 72.27 Favored 'General case' 0 C--O 1.21 -0.977 0 CA-C-O 117.166 -1.397 . . . . 0.0 111.618 174.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.49 -37.76 68.34 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 121.246 1.839 . . . . 0.0 111.74 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -66.66 -52.72 41.75 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 124.363 1.065 . . . . 0.0 109.39 171.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.9 t -59.05 -34.32 71.79 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-O 118.55 -0.738 . . . . 0.0 112.527 175.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.17 96.74 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 120.931 1.696 . . . . 0.0 111.253 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 36.1 t -62.04 -53.35 56.83 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 118.901 -0.571 . . . . 0.0 110.615 169.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.71 -43.2 72.35 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -59.51 -40.34 86.8 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 128.859 2.864 . . . . 0.0 112.13 175.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.2 m -79.36 -32.27 43.17 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.821 0.848 . . . . 0.0 112.248 173.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -68.83 -27.28 65.7 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.108 1.363 . . . . 0.0 111.277 173.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 45.5 m -60.73 -5.62 1.37 Allowed 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.639 -1.288 . . . . 0.0 113.792 164.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -109.54 -12.9 14.63 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.78 1.632 . . . . 0.0 113.677 171.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -108.41 -22.09 12.46 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.349 1.459 . . . . 0.0 113.657 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -114.85 -23.99 8.88 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.184 2.194 . . . . 0.0 113.066 174.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 11.8 t -126.03 38.03 4.22 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.158 1.383 . . . . 0.0 110.796 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -13.93 0.19 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.366 1.467 . . . . 0.0 114.246 172.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -50.26 -23.09 2.05 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.879 1.271 . . . . 0.0 113.515 163.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -75.27 -24.11 57.54 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.875 1.67 . . . . 0.0 114.079 171.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -78.85 -47.36 16.74 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 120.921 -1.112 . . . . 0.0 111.136 175.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -10.49 58.39 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 173.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -66.77 54.4 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 127.344 2.257 . . . . 0.0 113.865 173.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 42.4 t -164.49 -38.43 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 127.839 2.455 . . . . 0.0 110.721 175.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -102.92 -19.89 14.46 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.908 1.283 . . . . 0.0 113.96 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -107.0 -40.49 5.44 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.189 1.396 . . . . 0.0 112.343 177.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -59.2 -29.12 67.25 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 119.304 0.956 . . . . 0.0 112.341 174.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -67.23 -22.39 65.7 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.299 1.44 . . . . 0.0 113.802 175.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -67.53 -26.2 66.21 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 119.403 1.002 . . . . 0.0 112.347 171.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -103.41 22.03 14.95 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.099 1.76 . . . . 0.0 112.605 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -73.7 21.3 0.09 Allowed 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.335 1.454 . . . . 0.0 114.267 174.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -71.9 25.85 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 126.432 1.893 . . . . 0.0 114.199 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.6 179.08 4.17 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.417 1.887 . . . . 0.0 111.519 -177.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -84.06 26.98 0.69 Allowed 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 124.506 1.122 . . . . 0.0 113.416 175.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -80.35 34.95 0.32 Allowed 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.328 1.851 . . . . 0.0 112.908 175.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -56.61 160.51 3.23 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.895 1.278 . . . . 0.0 112.816 175.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 12.2 t -131.96 74.6 1.59 Allowed 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.085 1.354 . . . . 0.0 110.411 -175.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -143.9 -61.47 0.39 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.831 1.252 . . . . 0.0 112.253 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 8.0 m -112.24 -37.06 5.13 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.535 1.134 . . . . 0.0 113.531 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 4.6 tpt85 -60.55 99.85 0.09 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.664 1.585 . . . . 0.0 111.35 175.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.322 0 C-N-CA 126.02 1.728 . . . . 0.0 111.016 -178.829 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.5 p . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.31 59.84 0.01 OUTLIER Glycine 0 CA--C 1.532 1.15 0 C-N-CA 123.598 0.618 . . . . 0.0 114.113 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -137.5 118.13 13.98 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.575 1.15 . . . . 0.0 111.126 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.1 t -145.24 27.15 1.28 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.262 1.425 . . . . 0.0 111.928 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.92 83.74 1.7 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.447 1.499 . . . . 0.0 110.909 -174.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.46 59.3 1.03 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.764 1.626 . . . . 0.0 111.127 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.57 115.27 5.23 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.413 1.485 . . . . 0.0 110.285 173.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.83 98.48 2.74 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.539 1.136 . . . . 0.0 111.677 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.7 p -161.08 147.5 14.78 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.562 1.945 . . . . 0.0 109.684 175.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 44.33 48.33 8.0 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.051 1.741 . . . . 0.0 114.874 -176.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 t -88.15 -55.24 3.83 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.488 -0.757 . . . . 0.0 113.031 -177.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.74 -37.84 85.47 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 t 55.18 112.11 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 128.372 2.669 . . . . 0.0 115.628 178.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.409 ' C ' ' H ' ' A' ' 18' ' ' TYR . 14.0 t 55.29 177.42 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.014 1.326 . . . . 0.0 112.539 -163.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 t 60.24 -7.11 0.07 Allowed 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 126.817 2.047 . . . . 0.0 115.351 -173.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.409 ' H ' ' C ' ' A' ' 16' ' ' SER . 1.9 p90 -54.29 -22.35 11.65 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 126.688 1.995 . . . . 0.0 113.708 171.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.1 p -71.92 -35.07 69.55 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 119.506 1.048 . . . . 0.0 112.37 -174.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 81.7 p -68.71 -41.02 79.68 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.51 0.595 . . . . 0.0 111.186 171.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.22 -39.69 82.29 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.26 1.024 . . . . 0.0 112.884 176.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.431 ' CD2' ' HB2' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -58.56 -60.9 3.08 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.261 1.424 . . . . 0.0 109.342 168.386 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.55 -14.32 60.83 Favored 'General case' 0 CA--C 1.552 1.022 0 O-C-N 119.897 -1.752 . . . . 0.0 113.646 -175.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -82.17 -46.18 14.12 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.15 1.38 . . . . 0.0 113.081 167.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.61 -25.45 67.39 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 120.952 -1.093 . . . . 0.0 113.007 173.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.37 -48.88 62.37 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.427 1.091 . . . . 0.0 111.069 164.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.0 t -55.07 -27.69 46.81 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 174.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 t -58.8 -39.08 80.07 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.748 1.158 . . . . 0.0 112.676 175.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.39 -33.72 15.15 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.666 0.786 . . . . 0.0 112.856 175.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.08 -36.43 81.66 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.385 0.674 . . . . 0.0 112.782 176.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.29 -22.37 66.83 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.317 1.447 . . . . 0.0 113.551 171.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -85.6 -6.62 59.14 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.393 1.877 . . . . 0.0 112.354 172.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.79 61.74 1.67 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.279 1.831 . . . . 0.0 111.721 -172.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 t -55.14 -26.65 39.91 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 121.044 -1.035 . . . . 0.0 113.741 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.23 -14.81 7.94 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 170.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.08 -39.95 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 O-C-N 120.382 -1.449 . . . . 0.0 111.842 168.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.1 m -66.14 -29.21 69.47 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 121.685 -0.634 . . . . 0.0 110.608 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -68.17 -28.6 67.43 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.17 0.988 . . . . 0.0 113.49 171.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.07 -49.46 76.84 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.923 0.783 . . . . 0.0 110.262 170.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.34 -37.31 80.38 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.605 0.762 . . . . 0.0 112.555 175.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.26 -22.91 66.37 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.096 -1.002 . . . . 0.0 113.314 175.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 t -73.54 -6.22 45.17 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.237 1.415 . . . . 0.0 113.742 171.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.2 p -147.56 98.51 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.201 1.401 . . . . 0.0 113.277 -174.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.5 p -83.08 31.0 0.44 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.311 1.444 . . . . 0.0 114.823 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 m -140.65 129.6 23.27 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.555 1.542 . . . . 0.0 111.681 -173.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.13 -46.62 89.02 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.284 1.034 . . . . 0.0 113.439 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.53 -34.2 72.01 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.322 0.649 . . . . 0.0 112.078 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.02 -31.87 61.46 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.01 -1.056 . . . . 0.0 112.721 173.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.08 -28.17 69.9 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 120.998 -1.064 . . . . 0.0 112.291 170.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.02 -41.19 97.83 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.445 -0.784 . . . . 0.0 112.493 167.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.7 t -66.01 -35.83 81.63 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.52 0.728 . . . . 0.0 112.492 172.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.1 tp -61.39 -50.73 71.68 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.443 1.02 . . . . 0.0 111.358 171.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.84 -30.81 71.09 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 176.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -61.43 -52.88 62.73 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.847 0.749 . . . . 0.0 110.53 164.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -58.0 -49.01 78.29 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.333 1.453 . . . . 0.0 112.634 -175.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.0 mm -86.07 -35.86 9.78 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 CA-C-O 118.588 -0.72 . . . . 0.0 111.184 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.71 -35.76 92.35 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-N 120.295 1.407 . . . . 0.0 113.423 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.66 -53.2 60.79 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 117.977 0.889 . . . . 0.0 109.956 169.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.9 t -67.51 -28.49 67.87 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.09 -62.6 1.52 Allowed 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 125.131 1.372 . . . . 0.0 109.678 174.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.08 -45.03 42.55 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.658 0.783 . . . . 0.0 111.222 172.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -61.85 -41.47 97.86 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 120.488 -1.382 . . . . 0.0 114.293 174.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.7 m -62.09 -31.62 72.09 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.767 1.627 . . . . 0.0 112.738 175.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 122' ' ' PHE . 1.3 mt -88.69 -15.07 35.79 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.994 1.317 . . . . 0.0 113.763 173.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.12 20.13 40.09 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 125.864 1.697 . . . . 0.0 114.586 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.6 mm -88.97 112.25 23.87 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 C-N-CA 127.101 2.16 . . . . 0.0 109.751 -174.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.29 -9.4 23.86 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.0 m -67.15 -6.88 19.63 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-O 117.519 -1.229 . . . . 0.0 113.091 167.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.4 p30 -39.86 -54.07 2.2 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 120.994 1.725 . . . . 0.0 115.06 177.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.8 t -63.7 -43.27 97.09 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.157 1.383 . . . . 0.0 113.504 178.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.23 -43.59 60.96 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.2 1.0 . . . . 0.0 111.623 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.3 tp -62.02 -44.28 97.04 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 126.73 2.012 . . . . 0.0 111.188 173.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.95 -35.37 66.6 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 120.713 1.597 . . . . 0.0 111.937 175.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -86.08 5.93 82.76 Favored Glycine 0 CA--C 1.541 1.666 0 C-N-CA 125.252 1.406 . . . . 0.0 115.99 172.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -127.6 -30.09 2.59 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.779 1.789 . . . . 0.0 113.291 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.89 -39.11 79.93 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 126.574 1.95 . . . . 0.0 110.399 171.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.6 -33.03 44.46 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.228 1.411 . . . . 0.0 112.774 167.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -29.54 60.93 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.981 -1.075 . . . . 0.0 112.958 174.2 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.18 -56.15 4.91 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.44 1.018 . . . . 0.0 111.205 174.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.9 p -65.66 -31.47 53.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 O-C-N 121.701 -0.624 . . . . 0.0 112.431 179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -89.68 -20.03 45.75 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 124.978 1.275 . . . . 0.0 112.725 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.47 -24.05 77.32 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.663 1.125 . . . . 0.0 113.018 167.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 t -137.28 43.96 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.746 1.618 . . . . 0.0 110.948 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -91.4 150.66 20.54 Favored Glycine 0 CA--C 1.537 1.417 0 O-C-N 121.304 -0.873 . . . . 0.0 111.777 175.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 41.12 80.2 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.762 2.025 . . . . 0.0 115.591 -177.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 176.17 -36.3 0.1 OUTLIER Glycine 0 N--CA 1.474 1.204 0 O-C-N 121.728 -0.608 . . . . 0.0 114.313 173.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -90.99 -87.85 0.19 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.25 1.02 . . . . 0.0 110.529 173.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.1 p 170.93 -176.27 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 126.985 2.114 . . . . 0.0 111.202 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.75 -25.23 1.17 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 117.668 -1.158 . . . . 0.0 113.689 161.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.21 -48.77 74.6 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 121.053 1.752 . . . . 0.0 111.525 172.593 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.63 -36.92 76.57 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 117.693 -1.146 . . . . 0.0 112.389 173.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -66.48 -51.96 51.25 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 120.544 1.52 . . . . 0.0 109.632 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.65 -41.65 95.4 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.594 1.157 . . . . 0.0 113.626 174.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -68.81 -41.91 78.02 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 119.966 1.257 . . . . 0.0 110.867 176.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.17 96.39 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 120.139 1.336 . . . . 0.0 111.903 174.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.5 mt -65.77 -52.99 43.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 126.239 1.816 . . . . 0.0 110.559 175.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.91 -61.7 2.31 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.778 0.831 . . . . 0.0 110.476 176.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -49.02 -40.35 30.66 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 120.216 1.371 . . . . 0.0 112.686 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.42 -39.0 68.21 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 119.219 0.918 . . . . 0.0 112.809 177.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.447 ' HB1' ' CD2' ' A' ' 122' ' ' PHE . . . -53.25 -42.04 66.08 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 117.957 0.344 . . . . 0.0 110.973 168.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.414 ' HA3' ' CE1' ' A' ' 22' ' ' PHE . . . -80.31 -25.3 57.48 Favored Glycine 0 N--CA 1.468 0.799 0 CA-C-O 118.207 -1.33 . . . . 0.0 115.549 175.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -55.14 -44.22 74.88 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 119.686 1.743 . . . . 0.0 110.284 171.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.11 -40.49 74.87 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 176.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 74.8 mt -61.33 -42.53 98.83 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.742 0.701 . . . . 0.0 111.649 177.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.12 -33.84 76.32 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.798 1.639 . . . . 0.0 113.201 173.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.1 m -73.64 -46.43 46.76 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.285 1.434 . . . . 0.0 112.45 176.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -72.4 -40.3 67.29 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.52 1.128 . . . . 0.0 112.344 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 113.63 6.79 21.06 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.426 1.012 . . . . 0.0 114.38 -176.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.8 t -64.65 -36.79 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-N 118.712 1.256 . . . . 0.0 110.701 171.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.38 127.0 34.76 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.191 0.996 . . . . 0.0 110.114 175.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -136.48 36.98 2.7 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.388 1.475 . . . . 0.0 111.666 -173.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 48.99 34.64 5.73 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 125.313 1.445 . . . . 0.0 114.89 176.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -157.85 -46.33 0.01 OUTLIER Glycine 0 N--CA 1.474 1.213 0 C-N-CA 124.509 1.052 . . . . 0.0 113.663 -172.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.06 9.55 27.65 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.209 1.004 . . . . 0.0 112.578 163.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.37 -48.6 71.32 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.416 1.086 . . . . 0.0 111.423 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.3 p -71.77 -36.79 70.48 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 176.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.71 -51.43 62.46 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.861 0.864 . . . . 0.0 111.587 178.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -32.44 73.75 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-O 117.571 -1.204 . . . . 0.0 112.136 172.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.431 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . . . -64.72 -53.73 42.57 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 120.629 1.559 . . . . 0.0 113.182 177.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.95 -44.99 72.23 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 109.814 -1.315 . . . . 0.0 109.814 173.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.2 t -60.41 -44.61 95.56 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 174.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.447 ' CD2' ' HB1' ' A' ' 100' ' ' ALA . 1.2 m-85 -68.12 -42.57 80.02 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 121.017 1.735 . . . . 0.0 114.105 178.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.67 -55.31 36.68 Favored 'General case' 0 N--CA 1.439 -0.996 0 C-N-CA 125.069 1.348 . . . . 0.0 110.624 172.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -34.3 74.93 Favored 'General case' 0 C--O 1.211 -0.963 0 CA-C-O 117.967 -1.016 . . . . 0.0 112.392 173.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.11 -46.45 42.65 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 121.515 1.961 . . . . 0.0 111.717 -177.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.1 tt -65.06 -45.11 86.67 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.657 0.783 . . . . 0.0 109.897 173.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 35.1 p -68.14 -40.95 82.31 Favored 'General case' 0 C--O 1.222 -0.35 0 O-C-N 120.62 -1.3 . . . . 0.0 113.955 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -65.39 -39.85 92.75 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.582 1.553 . . . . 0.0 111.971 174.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 33.5 t -57.7 -54.07 51.0 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.574 0.75 . . . . 0.0 110.302 172.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.04 -26.54 68.6 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 172.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.19 -48.72 72.45 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 121.358 1.89 . . . . 0.0 110.809 176.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 31.4 m -71.71 -41.74 68.2 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.971 0.908 . . . . 0.0 111.468 177.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -37.54 80.1 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 117.582 -1.199 . . . . 0.0 112.577 175.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.8 m -56.29 -35.12 67.13 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 121.374 1.897 . . . . 0.0 111.197 172.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -67.26 -25.33 66.01 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 173.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -97.55 -25.25 15.22 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.982 1.313 . . . . 0.0 113.45 177.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 29.3 tp60 -89.66 -33.34 16.67 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 127.378 2.271 . . . . 0.0 112.373 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.7 p -113.66 27.63 9.4 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.405 1.482 . . . . 0.0 112.091 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -6.44 0.18 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.096 1.359 . . . . 0.0 114.226 168.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -49.12 -26.45 2.76 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 120.346 -1.471 . . . . 0.0 113.322 167.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -64.88 -27.87 69.16 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.194 1.398 . . . . 0.0 114.53 170.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -69.86 -40.96 75.44 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.315 1.046 . . . . 0.0 112.168 177.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -86.63 -6.92 58.73 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.787 0.835 . . . . 0.0 113.205 175.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -76.52 -159.95 0.14 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 125.404 1.482 . . . . 0.0 112.183 169.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.4 t 68.05 -41.15 0.44 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 128.193 2.597 . . . . 0.0 114.66 -174.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -96.51 -34.34 11.51 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.378 1.471 . . . . 0.0 112.412 170.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.2 -40.64 23.54 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.329 1.052 . . . . 0.0 112.482 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -66.74 -32.22 73.38 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.583 -0.698 . . . . 0.0 112.035 175.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -70.82 -22.54 62.33 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.702 1.201 . . . . 0.0 113.577 174.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -62.7 -27.7 69.43 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.543 1.065 . . . . 0.0 112.717 172.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -105.73 16.45 25.27 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.737 1.615 . . . . 0.0 113.043 175.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -74.84 41.36 0.16 Allowed 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.831 1.253 . . . . 0.0 112.891 170.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -58.33 -29.69 66.13 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.46 1.104 . . . . 0.0 112.287 169.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 27.1 t -75.13 141.6 43.7 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.941 1.296 . . . . 0.0 111.504 172.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -94.23 15.2 17.96 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.752 1.221 . . . . 0.0 112.929 174.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -72.31 43.07 0.1 Allowed 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 126.392 1.877 . . . . 0.0 113.681 172.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -59.63 175.58 0.34 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.185 1.394 . . . . 0.0 112.728 169.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 4.1 m -46.71 149.26 0.85 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.876 1.27 . . . . 0.0 113.742 172.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -49.92 99.67 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.293 1.837 . . . . 0.0 113.297 -176.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 47.9 t -167.96 -46.94 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.524 1.53 . . . . 0.0 111.835 -174.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -64.36 107.44 1.34 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.374 1.47 . . . . 0.0 111.047 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.503 0 C-N-CA 125.721 1.609 . . . . 0.0 112.389 -170.934 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 N--CA 1.47 0.539 0 CA-C-O 121.036 0.446 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.05 170.03 36.07 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 125.569 1.556 . . . . 0.0 112.149 175.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -147.12 107.17 4.0 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.567 1.147 . . . . 0.0 110.119 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.3 p -92.37 140.99 29.03 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.641 1.176 . . . . 0.0 110.336 176.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 84.5 p -66.35 162.62 19.91 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.642 -0.661 . . . . 0.0 111.894 173.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -125.21 -53.44 1.61 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.005 0.922 . . . . 0.0 112.028 175.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 56.83 132.65 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 127.586 2.355 . . . . 0.0 115.139 -172.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.67 171.71 16.46 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.322 1.449 . . . . 0.0 111.492 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.3 p -80.26 170.4 16.46 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.944 1.298 . . . . 0.0 112.292 166.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 45.17 65.82 1.03 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 126.365 1.866 . . . . 0.0 114.846 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 86.3 p -75.44 -32.54 60.71 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.221 -0.924 . . . . 0.0 113.292 174.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -160.83 46.45 0.21 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.311 1.044 . . . . 0.0 113.691 -171.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.38 40.17 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 126.61 1.964 . . . . 0.0 115.594 -176.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.66 -34.65 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 127.909 2.483 . . . . 0.0 113.216 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -145.76 41.07 1.2 Allowed 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 122.772 1.273 . . . . 0.0 112.142 -175.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -51.44 -27.23 9.69 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.352 1.061 . . . . 0.0 113.622 174.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.0 m -57.72 -27.48 62.99 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.265 1.426 . . . . 0.0 114.656 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.9 p -100.84 -32.2 10.79 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.695 0.798 . . . . 0.0 112.535 171.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.25 -43.6 97.55 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.724 1.147 . . . . 0.0 112.739 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.459 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 0.1 OUTLIER -62.69 -48.71 78.12 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 172.015 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.95 -24.68 67.59 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 121.208 -0.932 . . . . 0.0 113.026 -177.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -71.96 -44.19 63.95 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.339 1.456 . . . . 0.0 111.979 170.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.26 -30.6 68.76 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.243 -0.911 . . . . 0.0 112.813 173.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.51 -49.58 74.3 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.221 1.008 . . . . 0.0 111.082 166.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.1 m -56.15 -32.21 64.07 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 174.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -60.19 -35.06 74.53 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 120.161 1.346 . . . . 0.0 112.905 173.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.87 -35.91 16.27 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.224 1.01 . . . . 0.0 112.91 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.41 -46.58 87.94 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.153 0.981 . . . . 0.0 111.756 173.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.93 -24.52 66.09 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.129 0.972 . . . . 0.0 113.193 175.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.26 -19.24 64.71 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.359 1.464 . . . . 0.0 113.0 170.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.27 70.66 1.47 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.315 1.446 . . . . 0.0 110.553 -176.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.0 p -50.05 -23.05 1.85 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.95 1.3 . . . . 0.0 114.281 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.99 -19.18 6.23 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 125.694 1.597 . . . . 0.0 114.9 169.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -39.91 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 O-C-N 120.659 -1.276 . . . . 0.0 112.413 167.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.4 t -68.88 -35.04 76.41 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.551 0.74 . . . . 0.0 110.432 176.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -34.66 70.87 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.267 -0.896 . . . . 0.0 113.273 171.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.43 -48.07 74.05 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.876 0.47 . . . . 0.0 111.933 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -34.65 78.94 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 118.49 0.586 . . . . 0.0 111.85 170.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.06 -23.31 65.36 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.807 -1.183 . . . . 0.0 113.76 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.86 -1.96 41.41 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.264 1.426 . . . . 0.0 114.025 171.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 65.7 t -136.81 94.51 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 126.822 2.049 . . . . 0.0 110.67 -168.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 t -102.29 38.13 1.74 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.019 1.328 . . . . 0.0 112.742 -173.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.42 140.28 26.19 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.598 1.559 . . . . 0.0 111.624 -176.003 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.34 -52.55 64.77 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.532 1.133 . . . . 0.0 113.339 -177.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.1 m -72.09 -26.44 62.15 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.206 1.002 . . . . 0.0 113.063 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.61 -34.58 60.59 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.017 -1.052 . . . . 0.0 111.917 172.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.94 -38.53 88.86 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.381 0.992 . . . . 0.0 111.306 172.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.6 p -66.86 -36.1 81.54 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.722 -0.611 . . . . 0.0 112.444 170.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.1 t -64.64 -40.01 94.71 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.228 1.011 . . . . 0.0 113.021 170.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.5 tt -56.95 -51.55 68.74 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.244 0.929 . . . . 0.0 109.375 169.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.11 -30.96 66.7 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 175.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.41 -54.69 21.38 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 120.887 -1.133 . . . . 0.0 111.862 171.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -71.18 -46.01 62.25 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.392 1.477 . . . . 0.0 112.4 -172.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.3 mm -71.41 -39.79 71.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 124.948 1.299 . . . . 0.0 110.644 174.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.38 -37.35 81.14 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-N 119.724 1.147 . . . . 0.0 112.455 175.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.37 -51.39 68.5 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.694 0.797 . . . . 0.0 111.95 170.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.9 t -69.23 -36.36 77.11 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.537 1.135 . . . . 0.0 113.156 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.31 -49.5 66.82 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.921 1.288 . . . . 0.0 111.402 178.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.79 91.37 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.148 0.579 . . . . 0.0 111.651 173.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -56.76 -44.37 81.72 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.813 0.845 . . . . 0.0 112.402 172.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.9 t -60.33 -35.1 74.86 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.329 1.452 . . . . 0.0 112.604 178.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -85.7 -10.52 55.52 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.835 1.254 . . . . 0.0 113.439 173.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.02 8.22 87.67 Favored Glycine 0 CA--C 1.543 1.808 0 C-N-CA 125.609 1.576 . . . . 0.0 114.6 -174.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.8 mm -70.24 109.27 2.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 126.716 2.006 . . . . 0.0 109.649 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.14 -10.78 53.72 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 m -68.31 8.37 0.46 Allowed 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 125.657 1.583 . . . . 0.0 113.485 170.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -39.47 -58.38 1.27 Allowed 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 121.063 1.756 . . . . 0.0 114.372 176.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.5 t -65.59 -40.85 93.15 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.9 -43.81 67.57 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.94 0.896 . . . . 0.0 112.548 -177.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.9 tp -64.86 -48.14 75.36 Favored 'General case' 0 C--O 1.216 -0.689 0 C-N-CA 125.809 1.643 . . . . 0.0 110.407 171.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.38 -41.68 72.97 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 120.557 1.526 . . . . 0.0 111.792 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -69.69 -1.21 29.54 Favored Glycine 0 CA--C 1.542 1.724 0 C-N-CA 126.406 1.955 . . . . 0.0 116.308 171.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -121.6 -27.55 4.72 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.282 1.833 . . . . 0.0 112.417 175.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.5 tp -74.28 -41.01 61.92 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 127.049 2.14 . . . . 0.0 110.4 176.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.66 -21.21 66.68 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 169.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -81.02 -39.15 26.3 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 120.863 -1.148 . . . . 0.0 111.602 172.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.36 -57.88 9.69 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 118.802 0.728 . . . . 0.0 111.344 169.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 56.4 t -67.69 -39.82 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 125.97 1.708 . . . . 0.0 112.467 -177.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.29 -27.29 73.48 Favored Glycine 0 CA--C 1.535 1.309 0 O-C-N 121.243 -0.911 . . . . 0.0 113.255 175.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -78.04 -3.72 85.15 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.968 1.27 . . . . 0.0 114.395 169.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.2 p -143.08 49.89 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.932 1.693 . . . . 0.0 110.364 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.82 124.68 8.24 Favored Glycine 0 CA--C 1.534 1.251 0 O-C-N 120.546 -1.346 . . . . 0.0 111.932 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 52.47 97.76 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 127.524 2.33 . . . . 0.0 115.134 -174.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 153.08 -27.64 0.8 Allowed Glycine 0 N--CA 1.471 0.978 0 C-N-CA 124.176 0.894 . . . . 0.0 113.897 172.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.99 -80.38 0.29 Allowed 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 118.356 -0.83 . . . . 0.0 111.441 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.7 t 153.66 162.46 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 129.342 3.057 . . . . 0.0 110.745 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.45 -27.87 1.91 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 117.409 -1.282 . . . . 0.0 113.57 163.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 38.3 m -59.19 -55.84 29.77 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 120.889 1.677 . . . . 0.0 111.834 169.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.62 -36.32 83.37 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.398 -0.814 . . . . 0.0 112.397 176.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -66.16 -53.0 42.89 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 119.328 0.967 . . . . 0.0 109.918 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -56.17 -48.36 76.49 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 125.262 1.425 . . . . 0.0 113.058 174.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.48 -49.92 73.46 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 118.056 -0.974 . . . . 0.0 110.231 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.99 -36.12 82.94 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 120.087 1.312 . . . . 0.0 112.89 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.7 mt -63.29 -54.07 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.078 1.351 . . . . 0.0 109.939 175.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.73 -52.41 65.23 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.024 0.529 . . . . 0.0 110.946 175.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 18.3 mtt-85 -48.0 -54.59 12.42 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.519 1.528 . . . . 0.0 111.338 175.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.42 -35.81 82.06 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.468 1.031 . . . . 0.0 113.373 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.98 -54.64 36.25 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.089 0.956 . . . . 0.0 111.209 173.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.459 ' HA3' ' CZ ' ' A' ' 22' ' ' PHE . . . -85.49 -18.66 59.92 Favored Glycine 0 CA--C 1.536 1.387 0 CA-C-O 118.307 -1.274 . . . . 0.0 115.322 -179.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -53.93 -44.63 70.78 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.401 2.101 . . . . 0.0 110.171 163.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -65.01 -42.3 94.58 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 122.105 -0.372 . . . . 0.0 111.859 175.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 66.9 mt -62.75 -39.04 92.92 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.593 -0.692 . . . . 0.0 112.716 178.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.15 -35.01 78.79 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.893 1.277 . . . . 0.0 112.805 172.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 m -69.25 -44.3 72.23 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.002 1.321 . . . . 0.0 112.373 174.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -74.69 -41.5 60.13 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.07 0.948 . . . . 0.0 113.036 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 116.18 4.99 17.77 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.554 1.073 . . . . 0.0 114.814 -176.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.66 -37.3 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 118.549 1.175 . . . . 0.0 110.837 168.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.89 117.95 30.99 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.35 1.06 . . . . 0.0 109.833 -177.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -129.4 28.53 5.2 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.807 1.643 . . . . 0.0 112.263 -169.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 56.74 26.74 11.76 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -147.58 -42.45 0.04 OUTLIER Glycine 0 N--CA 1.476 1.306 0 C-N-CA 124.784 1.183 . . . . 0.0 113.358 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.82 8.88 37.6 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.536 1.134 . . . . 0.0 112.706 165.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.92 -56.8 17.26 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.081 0.855 . . . . 0.0 111.245 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.4 m -62.38 -35.53 79.47 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 177.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.74 -54.21 30.32 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.822 0.849 . . . . 0.0 111.564 178.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.23 -31.78 70.58 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.515 178.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.05 -47.97 69.72 Favored 'General case' 0 C--O 1.224 -0.243 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 175.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.37 -46.0 64.77 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 171.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 39.8 m -64.6 -42.46 95.55 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 172.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -67.05 -43.25 83.17 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 121.635 2.016 . . . . 0.0 111.141 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.89 -58.49 8.21 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.32 1.448 . . . . 0.0 111.181 173.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.08 -34.02 67.88 Favored 'General case' 0 C--O 1.21 -1.025 0 CA-C-O 116.952 -1.499 . . . . 0.0 111.693 174.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.95 -39.82 63.49 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 121.302 1.864 . . . . 0.0 112.639 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.0 tt -68.1 -41.52 81.68 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.742 1.155 . . . . 0.0 110.006 174.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 68.2 m -60.5 -52.05 66.83 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.264 1.026 . . . . 0.0 113.32 169.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.62 -40.98 89.05 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 126.005 1.722 . . . . 0.0 110.883 -177.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 56.7 m -64.33 -42.32 96.35 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.986 170.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.73 -45.1 87.93 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 120.982 1.719 . . . . 0.0 113.719 177.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.05 -29.54 60.77 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.193 -0.942 . . . . 0.0 112.773 176.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 67.8 m -79.06 -17.03 55.95 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.085 -1.009 . . . . 0.0 113.256 168.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -65.6 -23.02 66.73 Favored 'General case' 0 C--O 1.22 -0.496 0 O-C-N 120.258 -1.526 . . . . 0.0 110.908 169.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.6 t -54.03 -38.09 64.79 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 120.81 1.641 . . . . 0.0 112.478 163.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -67.57 -28.7 68.0 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.061 -1.65 . . . . 0.0 113.985 172.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -96.02 -18.98 19.82 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -106.83 -34.4 7.26 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 127.751 2.42 . . . . 0.0 111.649 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.52 30.9 5.02 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 126.096 1.758 . . . . 0.0 110.567 174.178 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -57.58 -7.44 0.65 Allowed 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.069 -1.019 . . . . 0.0 113.219 174.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -44.59 -26.95 0.42 Allowed 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 170.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -97.43 -43.58 7.22 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.608 1.095 . . . . 0.0 113.284 170.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -25.79 66.28 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.232 1.013 . . . . 0.0 112.644 -178.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -67.9 -33.48 74.79 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.277 1.431 . . . . 0.0 112.87 176.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -75.58 33.66 0.11 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.43 1.492 . . . . 0.0 113.09 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.3 t -158.34 -44.99 0.06 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.932 2.093 . . . . 0.0 110.939 175.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -96.4 -31.16 12.98 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -91.18 -33.58 15.35 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.003 1.321 . . . . 0.0 111.537 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -59.7 -35.0 73.62 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.454 0.701 . . . . 0.0 112.849 171.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -81.61 -23.71 36.87 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.866 1.266 . . . . 0.0 112.603 175.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . 0.407 ' C ' ' H ' ' A' ' 152' ' ' ALA . . . -87.53 8.09 26.58 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.009 1.324 . . . . 0.0 113.445 172.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -66.59 21.55 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 126.348 1.859 . . . . 0.0 114.798 175.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . 0.407 ' H ' ' C ' ' A' ' 150' ' ' ALA . . . -95.96 8.65 43.08 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 127.645 2.378 . . . . 0.0 112.811 175.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -115.07 21.88 13.86 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.474 1.909 . . . . 0.0 112.833 -173.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 36.6 m -23.59 88.23 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 130.083 3.353 . . . . 0.0 116.161 -172.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -96.29 49.08 1.11 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.744 1.617 . . . . 0.0 111.225 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -99.69 32.56 2.81 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 126.583 1.953 . . . . 0.0 111.542 174.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -55.29 167.09 0.49 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.732 1.613 . . . . 0.0 113.414 172.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.02 -31.94 7.2 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -175.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.07 -71.46 0.2 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.13 0.972 . . . . 0.0 112.991 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 16.2 t -173.81 160.84 3.71 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.833 2.053 . . . . 0.0 110.644 173.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -159.12 116.43 2.74 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.492 1.917 . . . . 0.0 109.965 175.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.332 0 C-N-CA 126.208 1.803 . . . . 0.0 112.323 179.039 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.23 18.72 2.3 Favored Glycine 0 CA--C 1.541 1.71 0 C-N-CA 125.305 1.431 . . . . 0.0 114.534 -176.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.31 120.07 8.1 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.338 1.055 . . . . 0.0 111.608 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.2 t -159.84 47.43 0.27 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.632 1.173 . . . . 0.0 112.765 -176.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 55.2 m -140.06 133.83 30.52 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.734 1.213 . . . . 0.0 112.735 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -154.73 -46.4 0.09 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.307 1.443 . . . . 0.0 113.103 169.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 52.97 99.3 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 127.187 2.195 . . . . 0.0 115.603 -172.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.78 90.91 3.45 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.167 1.387 . . . . 0.0 111.916 -174.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.7 t -155.62 163.28 40.14 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.175 1.39 . . . . 0.0 111.91 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -152.88 162.62 41.07 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.647 1.579 . . . . 0.0 111.731 170.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.5 m 54.21 12.8 0.52 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.925 2.09 . . . . 0.0 115.292 -175.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -153.97 8.55 0.36 Allowed 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.261 1.424 . . . . 0.0 114.029 -171.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.2 m -69.89 48.35 0.09 Allowed 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 175.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.06 151.03 7.33 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 120.331 -1.481 . . . . 0.0 111.952 178.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.0 m 55.78 34.16 22.87 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 -163.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -56.3 -22.14 28.56 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 175.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.8 p -58.49 -38.77 78.35 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.495 1.043 . . . . 0.0 112.675 -175.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.3 m -87.18 -36.38 18.05 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.948 0.899 . . . . 0.0 113.311 171.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.17 -34.7 79.0 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.532 1.06 . . . . 0.0 112.925 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -54.56 -57.73 10.27 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.602 1.161 . . . . 0.0 110.161 163.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.36 -18.24 63.46 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -177.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -79.48 -42.61 24.9 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.467 1.507 . . . . 0.0 112.996 169.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.59 -19.61 60.25 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.429 1.092 . . . . 0.0 113.848 174.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.49 -46.2 76.96 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 120.275 -1.516 . . . . 0.0 111.29 164.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.27 -28.42 53.28 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.117 1.367 . . . . 0.0 114.554 173.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.9 m -59.56 -31.28 69.29 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.57 1.077 . . . . 0.0 113.625 175.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.64 -29.3 10.2 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.155 0.982 . . . . 0.0 113.069 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.33 -43.7 98.43 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.014 1.326 . . . . 0.0 113.319 170.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.42 -25.12 66.61 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 172.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.91 -16.74 62.69 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.777 1.631 . . . . 0.0 113.596 170.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.8 m -126.21 69.99 1.23 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.005 1.722 . . . . 0.0 112.08 -172.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.6 t -52.89 -25.12 10.71 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 -178.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.92 -16.13 16.2 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 170.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -61.46 -34.44 61.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 120.546 1.521 . . . . 0.0 112.26 166.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.1 m -67.65 -33.33 74.74 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 120.743 -1.223 . . . . 0.0 111.232 173.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -66.36 -24.67 66.54 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 120.652 -1.28 . . . . 0.0 113.207 171.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.78 -51.62 69.2 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.718 0.807 . . . . 0.0 112.252 172.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -71.84 -35.28 69.83 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.778 0.717 . . . . 0.0 112.799 173.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.91 -25.93 68.55 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 119.502 1.046 . . . . 0.0 112.829 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.3 t -62.04 -22.17 65.52 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.719 1.608 . . . . 0.0 114.199 169.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.3 p -143.15 91.42 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.302 1.441 . . . . 0.0 112.523 -168.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 t -80.33 38.58 0.43 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.976 1.71 . . . . 0.0 114.397 -176.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m -145.67 128.93 16.75 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.787 1.635 . . . . 0.0 111.727 -175.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.45 -47.03 87.04 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.471 1.108 . . . . 0.0 113.797 -177.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.7 m -66.09 -37.19 85.16 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.789 0.836 . . . . 0.0 112.51 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.07 -25.58 47.73 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 176.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.67 -33.26 75.47 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 120.906 -1.121 . . . . 0.0 111.997 165.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -43.87 87.51 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.143 -0.973 . . . . 0.0 111.769 165.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.4 m -63.05 -38.43 91.16 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 172.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.1 tp -57.97 -52.73 64.29 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.468 1.031 . . . . 0.0 110.945 171.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.61 -38.4 84.57 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 119.298 0.954 . . . . 0.0 112.958 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -57.79 -48.56 79.35 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 119.26 0.937 . . . . 0.0 111.598 169.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.73 -54.61 32.68 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.376 1.07 . . . . 0.0 112.864 -178.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.6 mm -78.09 -32.59 17.36 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 124.022 0.929 . . . . 0.0 111.158 -176.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.38 -37.38 94.73 Favored Glycine 0 N--CA 1.469 0.882 0 C-N-CA 124.133 0.873 . . . . 0.0 113.884 175.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 tp -55.14 -47.39 75.15 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.372 0.669 . . . . 0.0 111.149 170.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.2 t -73.67 -34.57 64.97 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.766 1.226 . . . . 0.0 113.972 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.27 -53.19 52.96 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.095 0.862 . . . . 0.0 112.2 176.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.89 -49.12 74.29 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 124.544 1.138 . . . . 0.0 110.381 171.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -59.03 -41.68 88.36 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.957 1.253 . . . . 0.0 114.026 175.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.1 t -62.03 -36.76 82.56 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.167 1.387 . . . . 0.0 112.533 176.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.45 -9.25 59.76 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.675 1.19 . . . . 0.0 113.893 171.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.89 10.27 72.61 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.796 1.665 . . . . 0.0 114.826 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.5 mm -84.78 107.5 15.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 125.572 1.549 . . . . 0.0 110.291 -173.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.0 -8.86 17.7 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.6 p -68.26 -0.41 4.71 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.676 1.362 . . . . 0.0 114.676 169.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -31.62 -56.22 0.27 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.791 2.036 . . . . 0.0 114.49 177.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.3 t -60.44 -43.72 96.54 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.745 2.018 . . . . 0.0 114.41 175.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.57 -44.96 63.56 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.167 1.387 . . . . 0.0 111.791 178.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.3 tp -64.7 -43.22 94.18 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 124.291 1.036 . . . . 0.0 111.129 175.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.06 -28.45 62.58 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 120.288 1.404 . . . . 0.0 113.094 174.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -83.55 3.34 85.37 Favored Glycine 0 CA--C 1.542 1.742 0 C-N-CA 125.921 1.724 . . . . 0.0 116.084 171.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.51 -28.78 3.0 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.124 1.769 . . . . 0.0 112.995 177.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.0 tp -69.54 -41.52 75.84 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 126.734 2.013 . . . . 0.0 111.207 173.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.57 -37.16 70.18 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.475 1.11 . . . . 0.0 113.184 168.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -70.61 -24.34 62.72 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 174.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.94 -54.73 4.85 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.264 -0.897 . . . . 0.0 111.933 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.74 -33.98 67.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 121.233 -0.917 . . . . 0.0 112.066 174.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -82.24 -22.11 59.5 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.001 0.81 . . . . 0.0 114.248 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.7 -25.94 72.95 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 123.856 0.741 . . . . 0.0 113.511 171.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.8 t -134.76 31.3 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 125.647 1.579 . . . . 0.0 111.32 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.91 137.93 29.12 Favored Glycine 0 CA--C 1.534 1.246 0 O-C-N 120.804 -1.185 . . . . 0.0 111.619 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 43.05 77.31 0.06 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.402 1.881 . . . . 0.0 115.3 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -172.45 -33.45 0.03 OUTLIER Glycine 0 CA--C 1.534 1.222 0 N-CA-C 115.4 0.92 . . . . 0.0 115.4 173.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -98.31 -70.38 0.73 Allowed 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.696 1.248 . . . . 0.0 111.756 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.0 t 157.19 179.48 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 129.586 3.154 . . . . 0.0 110.667 -177.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -40.45 -36.49 0.57 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 127.483 2.313 . . . . 0.0 113.964 161.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.3 t -53.46 -55.24 26.92 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 124.32 1.048 . . . . 0.0 111.469 173.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.7 -43.08 94.62 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 119.371 0.987 . . . . 0.0 112.548 176.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -62.75 -50.03 72.67 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 119.558 1.072 . . . . 0.0 110.238 -178.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.3 86.7 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.729 1.212 . . . . 0.0 113.528 174.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -64.4 -42.31 96.16 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 118.782 0.719 . . . . 0.0 111.363 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.61 -41.88 75.11 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.431 1.092 . . . . 0.0 112.225 177.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 42.4 mt -58.8 -51.08 76.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 124.088 0.955 . . . . 0.0 110.612 171.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.16 -35.36 80.86 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.964 0.905 . . . . 0.0 113.011 177.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -62.69 -52.85 61.67 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-O 117.373 -1.299 . . . . 0.0 111.643 171.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.94 -37.44 78.87 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 121.002 1.728 . . . . 0.0 113.274 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -51.78 -57.92 7.92 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.525 0.73 . . . . 0.0 110.215 164.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.08 -43.45 83.34 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 125.047 1.308 . . . . 0.0 113.073 176.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -56.98 -41.87 79.19 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.748 1.774 . . . . 0.0 112.136 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -67.63 -48.89 65.45 Favored 'General case' 0 C--N 1.34 0.193 0 CA-C-N 118.674 0.67 . . . . 0.0 111.623 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 38.9 mt -66.18 -37.14 84.91 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 120.915 -1.116 . . . . 0.0 112.17 -176.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.27 -6.21 2.98 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 128.512 2.725 . . . . 0.0 115.104 172.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.01 -10.88 15.54 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.259 -0.901 . . . . 0.0 113.429 162.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 87.56 8.66 0.18 Allowed 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 129.465 3.106 . . . . 0.0 112.299 -178.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.68 -18.78 74.8 Favored Glycine 0 N--CA 1.47 0.961 0 C-N-CA 124.767 1.175 . . . . 0.0 114.623 -178.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.2 t -142.8 -37.78 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 125.57 1.548 . . . . 0.0 110.714 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.76 136.48 32.94 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.826 1.651 . . . . 0.0 111.392 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -139.7 36.59 2.0 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 124.328 1.051 . . . . 0.0 113.318 -170.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 52.91 32.19 12.14 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 116.305 1.965 . . . . 0.0 116.305 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -161.21 -37.06 0.02 OUTLIER Glycine 0 N--CA 1.482 1.731 0 CA-C-N 116.538 -0.301 . . . . 0.0 113.771 175.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -86.71 14.46 7.02 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 121.238 -1.154 . . . . 0.0 113.687 167.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.24 -53.35 59.12 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.657 1.183 . . . . 0.0 112.442 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 44.5 p -69.19 -36.78 77.66 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.7 -54.07 49.68 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.006 0.922 . . . . 0.0 111.784 175.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.7 mp -66.83 -32.73 74.2 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 117.875 -1.06 . . . . 0.0 112.34 175.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.17 -51.11 69.15 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 119.98 1.264 . . . . 0.0 113.449 175.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.35 -48.49 59.68 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 173.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 75.7 m -64.21 -44.37 92.13 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -67.17 -47.8 69.89 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 120.143 1.338 . . . . 0.0 111.059 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.82 90.92 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.715 1.206 . . . . 0.0 110.598 177.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.54 -23.81 61.83 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 175.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.24 -38.27 75.14 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 120.513 1.506 . . . . 0.0 111.066 169.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.3 -44.03 89.23 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 118.945 -0.55 . . . . 0.0 111.504 170.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.8 p -63.91 -38.06 89.69 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 118.167 -0.921 . . . . 0.0 113.165 172.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.03 -44.01 70.11 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.481 1.512 . . . . 0.0 112.252 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 41.4 t -63.42 -47.22 82.85 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 121.858 -0.526 . . . . 0.0 110.452 171.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.67 -38.3 84.46 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 175.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -57.23 -45.73 83.62 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.821 1.649 . . . . 0.0 111.987 174.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 67.1 m -71.67 -43.84 65.32 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.057 0.543 . . . . 0.0 111.568 173.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -66.03 -17.8 64.92 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 120.782 -1.199 . . . . 0.0 113.536 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 39.7 m -57.56 -21.46 38.68 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 120.575 1.534 . . . . 0.0 113.653 164.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -80.55 -34.0 35.79 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 119.688 1.131 . . . . 0.0 113.182 169.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -88.99 -38.8 14.16 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.732 1.213 . . . . 0.0 113.576 -174.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -86.63 -25.41 24.9 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.753 2.021 . . . . 0.0 112.214 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.57 33.71 5.32 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.444 1.498 . . . . 0.0 111.55 175.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -1.99 0.31 Allowed 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 170.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -50.03 -33.03 16.88 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 120.49 -1.381 . . . . 0.0 112.922 166.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -67.09 -20.9 65.88 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 173.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -72.98 -43.67 61.96 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.514 1.126 . . . . 0.0 111.663 174.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -85.4 -7.86 58.72 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.955 1.302 . . . . 0.0 113.889 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.33 -171.88 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.338 1.455 . . . . 0.0 113.057 171.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.9 t 69.17 -37.69 0.38 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 127.092 2.157 . . . . 0.0 113.832 -168.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -99.35 -40.97 7.64 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.502 1.121 . . . . 0.0 112.623 170.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -70.43 -45.48 65.77 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 176.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -63.79 -33.02 74.73 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 121.297 -0.877 . . . . 0.0 112.708 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -67.9 -30.83 70.26 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.479 1.112 . . . . 0.0 113.466 173.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -65.08 -23.99 67.32 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 121.082 -1.011 . . . . 0.0 113.386 173.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -106.01 10.57 32.2 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 125.602 1.561 . . . . 0.0 113.455 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -69.02 5.92 1.05 Allowed 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 177.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -65.89 14.27 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.169 0 N-CA-C 115.448 1.647 . . . . 0.0 115.448 173.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 23.0 t -127.62 160.69 30.83 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.76 2.024 . . . . 0.0 111.894 -174.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -91.79 11.07 25.93 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 125.336 1.454 . . . . 0.0 113.553 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -79.82 29.27 0.26 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 126.108 1.763 . . . . 0.0 114.312 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -56.09 135.6 52.79 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 120.828 -1.17 . . . . 0.0 112.604 -178.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.08 70.49 0.83 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.394 1.477 . . . . 0.0 110.4 -173.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -140.81 -62.13 0.49 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.833 1.253 . . . . 0.0 111.495 178.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 75.4 m -149.31 69.17 1.05 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.898 1.679 . . . . 0.0 111.043 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -130.82 113.51 14.17 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.906 1.282 . . . . 0.0 110.208 176.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.235 0 C-N-CA 125.626 1.57 . . . . 0.0 111.302 -178.855 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.542 0.661 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.3 p -72.65 -40.14 66.59 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.758 1.163 . . . . 0.0 113.075 -176.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.6 t -74.68 -40.11 61.59 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.071 0.948 . . . . 0.0 111.406 172.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.1 79.91 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 121.392 -0.818 . . . . 0.0 113.206 176.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.599 ' CD2' ' HB2' ' A' ' 119' ' ' ALA . 14.6 t80 -52.34 -59.37 4.49 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.871 1.268 . . . . 0.0 109.641 163.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.62 -18.23 58.58 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -176.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -73.15 -45.54 56.12 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.42 1.088 . . . . 0.0 113.126 169.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.57 -23.16 56.51 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.113 -0.992 . . . . 0.0 113.091 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.98 -49.62 59.86 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.02 0.528 . . . . 0.0 111.401 161.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.6 t -57.47 -30.14 64.82 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 175.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.2 t -59.37 -41.11 88.55 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.166 -0.959 . . . . 0.0 112.737 175.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.09 -35.23 23.87 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 174.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.83 -39.91 86.69 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.447 -0.783 . . . . 0.0 112.168 176.245 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.0 -24.74 67.59 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.345 1.458 . . . . 0.0 113.728 173.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.91 -10.84 59.75 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.59 1.556 . . . . 0.0 112.677 171.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.8 m -133.94 58.3 1.77 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.31 1.444 . . . . 0.0 112.637 -168.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.68 -26.06 8.44 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -177.222 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.95 -15.64 9.53 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 172.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -40.66 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 O-C-N 120.274 -1.516 . . . . 0.0 112.915 169.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.9 m -65.91 -30.26 70.82 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.182 -0.948 . . . . 0.0 110.406 175.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -36.41 82.62 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.129 1.372 . . . . 0.0 112.416 170.391 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.33 -41.02 92.67 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.422 1.01 . . . . 0.0 111.962 171.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -69.96 -34.16 73.03 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 171.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.12 -24.89 65.03 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 119.291 0.95 . . . . 0.0 113.323 172.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.5 m -75.1 -15.76 60.59 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 174.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.6 m -133.21 108.35 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 124.804 1.242 . . . . 0.0 112.207 -176.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.0 p -100.91 31.76 3.45 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.936 1.694 . . . . 0.0 113.665 -171.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.4 m -136.04 128.44 30.29 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.471 1.508 . . . . 0.0 111.523 -176.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.34 -52.43 61.59 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.069 1.348 . . . . 0.0 112.653 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.1 m -66.55 -35.03 79.22 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.026 0.93 . . . . 0.0 112.822 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.73 -31.5 68.36 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.577 -0.702 . . . . 0.0 112.337 175.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.07 -36.57 83.57 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.391 -0.818 . . . . 0.0 111.962 169.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.3 m -58.98 -42.48 90.06 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.021 0.828 . . . . 0.0 111.881 168.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.8 m -64.65 -38.35 90.69 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 118.671 -0.68 . . . . 0.0 112.812 171.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.9 tt -61.89 -46.35 89.78 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.567 1.076 . . . . 0.0 110.623 173.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.07 -47.2 78.42 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 119.727 1.149 . . . . 0.0 112.005 171.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -63.06 -47.4 83.09 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 119.663 1.119 . . . . 0.0 112.559 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -63.09 -57.19 11.44 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.612 1.965 . . . . 0.0 112.821 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.8 mm -71.11 -33.7 52.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 C-N-CA 124.353 1.061 . . . . 0.0 110.631 -177.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.51 -56.73 18.44 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.696 1.141 . . . . 0.0 111.828 168.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.5 -25.95 66.47 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 118.778 1.289 . . . . 0.0 114.06 177.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.5 t -75.45 -49.96 17.26 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.656 -0.653 . . . . 0.0 111.463 173.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.71 -35.97 75.59 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.895 1.278 . . . . 0.0 112.652 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.06 -47.81 3.19 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.262 1.825 . . . . 0.0 112.452 171.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.5 ttt-85 -82.63 -28.13 30.97 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.732 1.613 . . . . 0.0 112.59 -177.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.6 m -65.29 -35.67 81.72 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.584 1.154 . . . . 0.0 113.079 169.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.44 HD21 ' HA ' ' A' ' 122' ' ' PHE . 3.1 mm? -88.53 -26.72 21.86 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.122 0.969 . . . . 0.0 112.928 173.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.39 -18.27 38.86 Favored Glycine 0 CA--C 1.541 1.658 0 C-N-CA 126.336 1.922 . . . . 0.0 114.316 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.461 ' H ' HD12 ' A' ' 66' ' ' ILE . 4.5 mp -77.62 76.35 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 126.905 2.082 . . . . 0.0 110.375 177.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.13 -6.8 2.18 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 173.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.9 18.73 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 126.931 2.092 . . . . 0.0 114.909 174.266 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -13.33 10.5 Favored 'General case' 0 C--O 1.221 -0.4 0 O-C-N 120.491 -1.38 . . . . 0.0 114.424 176.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.9 t -46.09 -40.59 11.1 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.847 1.203 . . . . 0.0 113.508 170.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.69 -38.14 16.1 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.861 0.864 . . . . 0.0 112.558 173.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.434 HD11 ' HA ' ' A' ' 100' ' ' ALA . 5.0 tp -59.68 -57.91 10.87 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-N 118.532 0.606 . . . . 0.0 111.466 178.087 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.25 -40.89 71.45 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 127.019 2.128 . . . . 0.0 112.059 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -64.6 -10.86 46.2 Favored Glycine 0 CA--C 1.541 1.714 0 C-N-CA 125.373 1.463 . . . . 0.0 115.233 172.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -115.07 -27.28 7.39 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.951 1.7 . . . . 0.0 112.446 173.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.0 tp -70.5 -41.89 72.03 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 127.365 2.266 . . . . 0.0 110.579 177.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.89 -37.95 74.9 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.839 1.256 . . . . 0.0 111.991 168.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -76.31 -27.32 56.52 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.385 1.074 . . . . 0.0 112.579 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.41 -56.7 4.45 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.008 0.923 . . . . 0.0 111.121 175.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.0 p -65.02 -37.58 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.561 0.744 . . . . 0.0 112.026 177.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -80.11 -28.41 49.61 Favored Glycine 0 CA--C 1.531 1.031 0 C-N-CA 124.907 1.241 . . . . 0.0 113.45 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.67 -22.46 56.96 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 124.972 1.272 . . . . 0.0 113.897 172.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 t -129.36 31.28 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.99 1.716 . . . . 0.0 110.144 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.31 109.77 3.08 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 124.541 1.067 . . . . 0.0 111.72 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 60.53 88.21 0.08 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 127.484 2.314 . . . . 0.0 114.029 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 175.35 -29.66 0.08 OUTLIER Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.613 1.101 . . . . 0.0 114.221 176.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -102.12 -87.42 0.4 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.402 1.081 . . . . 0.0 111.197 176.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.2 t 174.01 173.29 0.18 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 127.163 2.185 . . . . 0.0 110.475 -176.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.07 -24.7 0.69 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.449 1.099 . . . . 0.0 113.452 160.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.83 -49.49 76.1 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 120.154 1.343 . . . . 0.0 112.352 171.204 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.08 -38.12 85.2 Favored 'General case' 0 C--O 1.224 -0.246 0 O-C-N 121.23 -0.919 . . . . 0.0 111.863 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -63.41 -48.44 77.81 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 119.555 1.07 . . . . 0.0 110.334 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.3 -40.1 86.02 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.92 1.288 . . . . 0.0 113.25 177.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -68.31 -41.91 80.2 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 119.556 1.071 . . . . 0.0 111.044 175.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.92 88.6 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.567 0.747 . . . . 0.0 111.707 175.412 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.0 mt -64.06 -49.69 80.39 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 CA-C-O 118.535 -0.745 . . . . 0.0 111.007 172.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.82 -41.05 79.14 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 120.392 1.451 . . . . 0.0 113.21 -178.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -63.89 -40.28 96.14 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 117.916 -1.04 . . . . 0.0 111.35 174.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -82.93 -32.82 27.01 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.815 1.189 . . . . 0.0 113.111 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.434 ' HA ' HD11 ' A' ' 72' ' ' LEU . . . -52.9 -46.05 67.84 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.681 1.192 . . . . 0.0 110.395 162.443 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -71.09 -38.27 63.71 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-O 117.835 -1.536 . . . . 0.0 113.844 176.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -54.71 -42.91 72.08 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 120.538 2.169 . . . . 0.0 112.459 -177.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -75.95 -43.71 43.5 Favored 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 174.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.6 tp -61.75 -39.1 90.42 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 120.676 -1.265 . . . . 0.0 111.74 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.735 0 C-N-CA 128.961 2.904 . . . . 0.0 115.06 170.614 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 120.922 0.392 . . . . 0.0 111.781 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.06 128.63 34.13 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.281 1.032 . . . . 0.0 111.246 175.611 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -139.79 34.42 1.99 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.59 1.156 . . . . 0.0 112.133 -174.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 44.23 48.91 7.84 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.786 2.034 . . . . 0.0 114.537 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -171.9 -35.99 0.03 OUTLIER Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.087 1.327 . . . . 0.0 112.834 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -108.43 12.83 25.95 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.731 1.612 . . . . 0.0 112.359 168.194 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.29 -52.55 64.89 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.184 0.902 . . . . 0.0 110.328 175.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 69.5 m -63.59 -38.09 89.81 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.55 -49.65 68.09 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.559 0.744 . . . . 0.0 111.824 177.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.8 mp -63.43 -35.71 81.34 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 117.665 -1.159 . . . . 0.0 111.488 173.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.599 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . . . -65.88 -47.38 75.06 Favored 'General case' 0 N--CA 1.457 -0.103 0 CA-C-N 119.758 1.163 . . . . 0.0 112.638 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -56.13 -49.98 64.52 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 174.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.7 m -59.12 -43.5 91.95 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 173.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.44 ' HA ' HD21 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -61.16 -49.86 75.52 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 120.1 1.318 . . . . 0.0 110.653 177.667 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.49 -48.04 82.87 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 124.053 0.941 . . . . 0.0 110.661 -177.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.77 -31.1 71.27 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 118.411 -0.804 . . . . 0.0 112.981 172.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -81.56 -43.98 17.94 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.867 1.212 . . . . 0.0 112.487 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.417 HD13 ' HE1' ' A' ' 122' ' ' PHE . 4.0 tt -67.86 -39.13 83.79 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.883 1.273 . . . . 0.0 109.934 173.393 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.9 p -66.31 -48.36 70.61 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 117.285 -1.34 . . . . 0.0 111.986 169.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -56.51 -39.55 73.51 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 121.687 2.039 . . . . 0.0 111.619 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 40.7 t -59.9 -54.17 49.32 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 117.928 -1.034 . . . . 0.0 111.749 169.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.49 -45.1 85.27 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 120.886 1.675 . . . . 0.0 113.907 177.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -62.01 -44.59 96.39 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.308 2.243 . . . . 0.0 111.925 178.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 72.7 m -76.85 -28.28 55.41 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.908 0.883 . . . . 0.0 112.44 174.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -70.84 -17.51 62.74 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-O 116.943 -1.503 . . . . 0.0 112.237 171.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 56.7 m -54.72 -32.96 60.42 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 122.246 2.294 . . . . 0.0 112.39 164.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.79 -24.37 61.73 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.897 1.279 . . . . 0.0 114.05 173.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -106.5 -13.09 15.43 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.917 1.687 . . . . 0.0 113.907 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -81.99 -35.88 28.48 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.644 2.378 . . . . 0.0 110.669 171.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.67 21.34 17.07 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.939 1.296 . . . . 0.0 112.122 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.96 15.37 0.16 Allowed 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 174.415 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -53.89 -24.95 17.77 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.32 1.448 . . . . 0.0 113.359 173.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -80.69 -37.23 31.14 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.286 1.434 . . . . 0.0 113.277 171.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -72.02 -39.23 69.32 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.862 0.755 . . . . 0.0 111.881 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.99 -34.72 78.14 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 121.426 -0.797 . . . . 0.0 112.155 174.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -71.35 28.94 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 126.218 1.807 . . . . 0.0 114.153 173.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.66 -39.75 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 127.128 2.171 . . . . 0.0 111.715 170.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.99 -40.82 12.1 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 N--CA 1.475 0.815 0 C-N-CA 123.809 0.843 . . . . 0.0 112.011 177.181 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.3 p90 . . . . . 0 CA--C 1.534 0.344 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.1 p -64.39 -38.71 91.98 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.171 1.389 . . . . 0.0 113.091 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 t -83.53 -37.71 22.68 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.018 0.927 . . . . 0.0 111.706 176.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.62 -35.17 79.62 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.479 -0.763 . . . . 0.0 112.514 173.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.443 ' CE2' ' HA ' ' A' ' 119' ' ' ALA . 4.2 t80 -54.43 -59.45 4.66 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.208 1.003 . . . . 0.0 109.824 164.562 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.22 -18.73 63.84 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 120.759 -1.213 . . . . 0.0 113.682 -176.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -76.1 -52.32 10.38 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.561 1.144 . . . . 0.0 112.533 169.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.71 -27.42 68.32 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.83 0.852 . . . . 0.0 112.99 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.435 ' HB1' ' HB2' ' A' ' 123' ' ' ALA . . . -51.67 -41.75 61.62 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.987 1.315 . . . . 0.0 111.763 168.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.2 t -56.32 -30.16 62.2 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 176.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.4 t -57.42 -40.25 77.94 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.243 -0.91 . . . . 0.0 112.385 175.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.97 -33.32 15.61 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.822 0.849 . . . . 0.0 112.752 177.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.12 -41.82 89.13 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.859 0.864 . . . . 0.0 111.276 174.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.13 -25.85 64.59 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.82 1.248 . . . . 0.0 114.023 173.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.33 -16.14 62.96 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.977 1.311 . . . . 0.0 113.154 173.335 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.3 m -125.39 66.51 1.15 Allowed 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.162 1.385 . . . . 0.0 111.848 -171.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 76.5 p -49.74 -28.94 6.78 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.76 -15.97 55.74 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 173.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 tt -63.95 -36.81 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 120.295 1.407 . . . . 0.0 111.631 171.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.7 m -69.09 -31.09 69.57 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.148 -0.97 . . . . 0.0 111.075 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.34 -31.9 73.18 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.753 0.821 . . . . 0.0 112.853 170.231 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.02 -50.26 73.28 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.65 0.659 . . . . 0.0 110.672 173.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -67.47 -37.99 83.75 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 173.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.76 -25.86 67.72 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 119.431 1.014 . . . . 0.0 113.305 173.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.0 t -75.87 -14.8 60.28 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.148 1.379 . . . . 0.0 113.988 174.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.7 p -136.23 97.5 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 CA-C-O 122.649 1.214 . . . . 0.0 112.13 -176.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.4 m -91.51 44.43 1.18 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.712 1.605 . . . . 0.0 112.798 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.78 134.56 22.35 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.32 1.048 . . . . 0.0 111.313 177.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.57 -51.98 67.58 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.972 0.909 . . . . 0.0 112.433 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.4 m -65.02 -35.53 81.49 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.416 1.086 . . . . 0.0 113.083 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.49 -28.67 56.55 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.206 -0.934 . . . . 0.0 112.27 175.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.98 -35.25 80.59 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.929 1.24 . . . . 0.0 111.15 167.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.9 m -60.24 -42.28 94.9 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.926 0.785 . . . . 0.0 112.417 167.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.3 t -63.77 -39.74 94.99 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.324 0.649 . . . . 0.0 112.708 173.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.54 -50.16 73.78 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 121.31 -0.869 . . . . 0.0 110.652 172.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.06 73.62 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.848 1.204 . . . . 0.0 112.895 174.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -65.1 -56.0 15.51 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.297 -0.877 . . . . 0.0 111.919 173.053 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -64.01 -51.11 65.76 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.519 1.054 . . . . 0.0 112.919 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 45.7 mm -71.38 -38.69 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 124.237 1.015 . . . . 0.0 110.469 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.59 -34.94 91.29 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 124.285 0.945 . . . . 0.0 113.365 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 tp -54.18 -50.96 65.83 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.186 0.993 . . . . 0.0 110.762 170.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.7 t -74.86 -30.77 61.44 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.901 0.88 . . . . 0.0 113.356 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.57 -50.29 74.11 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.784 1.175 . . . . 0.0 111.389 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.64 -49.44 76.45 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.626 1.171 . . . . 0.0 112.071 169.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.59 -33.94 76.72 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.3 t -63.44 -35.62 81.04 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.701 1.6 . . . . 0.0 112.363 173.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.4 -7.75 58.19 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.602 1.161 . . . . 0.0 113.068 172.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.12 14.68 78.71 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 125.23 1.395 . . . . 0.0 114.854 -177.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 17.4 mm -75.51 113.51 14.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 125.271 1.428 . . . . 0.0 110.803 -177.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.57 -13.91 59.99 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 177.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -70.2 7.74 0.93 Allowed 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 125.585 1.554 . . . . 0.0 113.725 171.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -44.15 -52.77 7.04 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 120.913 1.688 . . . . 0.0 114.676 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.1 t -69.01 -38.7 79.37 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.345 1.058 . . . . 0.0 113.331 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.14 -44.27 65.89 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.206 1.002 . . . . 0.0 112.294 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.8 tp -62.99 -51.31 67.35 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-O 117.32 -1.324 . . . . 0.0 109.617 170.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.59 -38.39 66.67 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 121.254 1.843 . . . . 0.0 112.669 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -71.45 -0.62 39.5 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 125.498 1.523 . . . . 0.0 116.321 172.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.69 -28.85 2.94 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.616 1.966 . . . . 0.0 112.642 177.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.3 tp -64.66 -39.24 93.35 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 127.373 2.269 . . . . 0.0 110.15 171.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.16 -33.29 67.27 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.794 1.238 . . . . 0.0 113.274 167.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -38.54 52.65 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.958 1.254 . . . . 0.0 112.124 172.129 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.58 -49.72 72.26 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.204 0.911 . . . . 0.0 111.699 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.3 p -73.34 -40.11 56.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-N 118.506 0.594 . . . . 0.0 112.416 176.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -74.59 -28.31 63.6 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.041 0.829 . . . . 0.0 113.501 -174.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.57 -26.97 65.34 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.352 1.453 . . . . 0.0 113.801 173.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.5 t -136.27 36.48 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 125.779 1.632 . . . . 0.0 110.183 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.63 135.46 25.06 Favored Glycine 0 CA--C 1.533 1.217 0 O-C-N 120.47 -1.394 . . . . 0.0 111.669 177.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 47.78 83.13 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.1 1.76 . . . . 0.0 115.23 -176.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -178.64 -38.91 0.06 OUTLIER Glycine 0 CA--C 1.531 1.075 0 N-CA-C 115.154 0.822 . . . . 0.0 115.154 170.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.16 -74.81 0.44 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.727 0.811 . . . . 0.0 112.02 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.8 t 161.36 168.1 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 128.279 2.632 . . . . 0.0 110.078 -176.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.28 -22.39 0.4 Allowed 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 161.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -61.37 -50.63 72.12 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 120.638 1.563 . . . . 0.0 112.03 169.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.16 -38.34 82.0 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 118.31 -0.852 . . . . 0.0 112.378 173.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -68.54 -42.46 78.39 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.885 1.22 . . . . 0.0 110.784 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.12 -40.34 82.52 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.987 0.915 . . . . 0.0 112.519 172.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -64.21 -38.67 91.9 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 120.102 1.319 . . . . 0.0 111.231 173.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.24 -47.59 76.25 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.061 0.945 . . . . 0.0 112.036 172.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.6 -42.41 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.388 0.675 . . . . 0.0 110.917 177.055 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.64 -41.87 30.31 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.793 1.237 . . . . 0.0 113.086 -176.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 28.2 ptt180 -62.75 -39.18 93.34 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.785 1.175 . . . . 0.0 111.038 173.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -80.07 -34.26 38.27 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.017 0.826 . . . . 0.0 112.615 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.6 -50.8 67.19 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.084 0.856 . . . . 0.0 110.395 162.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.63 -40.58 98.13 Favored Glycine 0 C--N 1.339 0.739 0 CA-C-O 117.992 -1.449 . . . . 0.0 112.724 176.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -54.88 -45.32 74.62 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.761 1.78 . . . . 0.0 112.72 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -70.91 -47.4 59.34 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.688 0.676 . . . . 0.0 110.794 178.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.8 mp -62.52 -36.51 82.79 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 120.932 -1.105 . . . . 0.0 112.871 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.516 0 C-N-CA 127.344 2.258 . . . . 0.0 114.606 172.276 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 24.0 t . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 120.403 0.144 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.73 142.47 35.41 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.596 -0.69 . . . . 0.0 111.58 174.536 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -145.28 37.25 1.12 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.775 1.23 . . . . 0.0 112.674 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 48.23 33.56 3.81 Favored 'General case' 0 CA--C 1.559 1.289 0 N-CA-C 115.556 1.688 . . . . 0.0 115.556 175.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -166.23 -43.42 0.02 OUTLIER Glycine 0 N--CA 1.474 1.232 0 C-N-CA 125.505 1.526 . . . . 0.0 112.409 -178.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -84.52 8.31 17.02 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 167.106 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.42 -44.97 89.29 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.796 1.18 . . . . 0.0 112.578 -177.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 51.8 p -70.24 -39.19 75.18 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 177.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.15 -52.24 63.26 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.82 0.848 . . . . 0.0 111.425 176.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -67.49 -29.64 69.12 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-O 117.963 -1.018 . . . . 0.0 111.902 176.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.443 ' HA ' ' CE2' ' A' ' 22' ' ' PHE . . . -67.52 -51.4 51.43 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 120.374 1.443 . . . . 0.0 114.0 174.512 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -52.32 -49.33 51.47 Favored Glycine 0 C--N 1.338 0.691 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 173.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 63.2 m -58.67 -46.98 86.01 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 173.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -66.84 -41.23 87.75 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 121.668 2.031 . . . . 0.0 111.868 -177.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.435 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . . . -59.83 -57.06 14.54 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.871 1.269 . . . . 0.0 111.02 173.178 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -32.37 69.6 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 117.666 -1.159 . . . . 0.0 112.044 175.79 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.92 -44.71 60.9 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 120.48 1.491 . . . . 0.0 113.235 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.6 -42.52 99.62 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.616 -0.677 . . . . 0.0 109.659 171.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.7 m -62.68 -31.71 72.65 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 169.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.49 -43.74 59.48 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 121.184 1.811 . . . . 0.0 111.116 -176.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 44.0 t -57.51 -50.03 74.4 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.366 165.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.07 -44.69 87.67 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 120.144 1.338 . . . . 0.0 114.21 177.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -61.03 -42.73 99.03 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.66 1.984 . . . . 0.0 112.05 176.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 74.2 m -74.97 -34.35 62.01 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.544 0.738 . . . . 0.0 112.424 175.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -72.38 -22.83 61.08 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.155 0.982 . . . . 0.0 112.177 174.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 73.3 m -58.47 -13.86 6.51 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 120.877 1.672 . . . . 0.0 113.415 163.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -99.35 -6.94 26.97 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.428 1.491 . . . . 0.0 114.209 170.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -115.82 -22.55 9.04 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.378 1.471 . . . . 0.0 113.623 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -108.64 -35.33 6.46 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 127.932 2.493 . . . . 0.0 111.116 174.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.06 34.3 4.54 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.362 1.465 . . . . 0.0 111.572 178.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -51.98 -18.16 1.27 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.532 1.133 . . . . 0.0 113.783 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -45.45 -29.62 1.16 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.972 1.309 . . . . 0.0 113.576 167.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -60.14 -23.78 64.19 Favored 'General case' 0 CA--C 1.55 0.971 0 O-C-N 120.816 -1.177 . . . . 0.0 113.795 173.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -77.78 -23.94 49.02 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.397 1.079 . . . . 0.0 113.707 175.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.72 -25.86 12.97 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.215 1.006 . . . . 0.0 112.83 177.569 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -71.97 34.8 0.06 Allowed 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 126.502 1.921 . . . . 0.0 113.351 170.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.5 t -150.26 -48.84 0.13 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.038 1.335 . . . . 0.0 111.023 167.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.88 -41.95 34.99 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 2.7 t80 . . . . . 0 N--CA 1.471 0.579 0 O-C-N 121.451 -0.78 . . . . 0.0 111.574 -177.247 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.6 p90 . . . . . 0 CA--C 1.553 1.074 0 N-CA-C 115.532 1.679 . . . . 0.0 115.532 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 t -67.33 -37.26 83.0 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.424 1.09 . . . . 0.0 113.437 -176.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 t -84.43 -34.15 23.54 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 121.567 -0.708 . . . . 0.0 111.908 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.49 -33.15 74.52 Favored 'General case' 0 CA--C 1.559 1.308 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -47.48 -53.32 14.53 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.3 1.44 . . . . 0.0 109.562 165.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.82 -16.64 59.12 Favored 'General case' 0 CA--C 1.562 1.412 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -176.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -78.14 -42.82 30.58 Favored 'General case' 0 CA--C 1.558 1.267 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 170.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.9 -31.69 66.65 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.33 -45.36 54.83 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 126.387 1.875 . . . . 0.0 111.383 166.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.49 -27.14 46.73 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 173.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.3 t -60.4 -39.49 87.54 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.203 -0.936 . . . . 0.0 113.487 174.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.33 -29.15 15.78 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 175.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.18 -41.17 92.33 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.444 1.098 . . . . 0.0 111.753 173.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.18 -25.5 68.11 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 172.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 m -73.0 -9.44 58.73 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 126.315 1.846 . . . . 0.0 113.373 170.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.5 t -130.17 70.08 1.44 Allowed 'General case' 0 CA--C 1.533 0.321 0 O-C-N 120.29 -1.506 . . . . 0.0 110.642 -175.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.3 t -53.34 -27.32 22.86 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 174.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.57 -15.68 40.97 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 170.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.4 tt -67.44 -39.01 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 O-C-N 120.815 -1.178 . . . . 0.0 111.233 167.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.2 m -66.6 -32.89 74.51 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.78 0.832 . . . . 0.0 111.651 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -35.39 70.67 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.839 1.656 . . . . 0.0 111.829 168.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.51 -46.54 86.53 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 119.16 0.891 . . . . 0.0 110.382 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -70.05 -34.16 72.87 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 174.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.83 -32.3 71.69 Favored 'General case' 0 CA--C 1.56 1.329 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 171.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.53 -16.96 61.77 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 125.839 1.656 . . . . 0.0 115.075 173.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -140.17 102.11 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 CA-C-O 122.698 1.237 . . . . 0.0 111.506 -175.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.9 p -92.45 27.85 2.15 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 127.724 2.409 . . . . 0.0 114.837 -174.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 m -136.78 136.86 39.25 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.498 1.119 . . . . 0.0 112.191 -175.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.87 -50.98 71.98 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.8 t -69.07 -37.22 78.37 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.72 -0.613 . . . . 0.0 112.375 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.26 -30.63 66.54 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 174.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.61 -36.41 83.64 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.476 1.034 . . . . 0.0 110.906 169.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -42.51 94.65 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-O 118.386 -0.816 . . . . 0.0 111.71 166.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 64.5 m -64.62 -39.13 93.16 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 173.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 tp -56.13 -56.51 19.98 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.182 1.393 . . . . 0.0 109.143 169.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.418 ' HB1' HD23 ' A' ' 76' ' ' LEU . . . -65.76 -27.29 68.19 Favored 'General case' 0 CA--C 1.556 1.208 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -63.63 -59.08 5.06 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 125.757 1.623 . . . . 0.0 112.082 164.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -54.99 -46.6 75.16 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.024 0.929 . . . . 0.0 111.356 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.0 mp -80.69 -39.73 18.5 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.266 0 CA-C-O 118.157 -0.925 . . . . 0.0 112.404 -178.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.31 -35.49 78.84 Favored Glycine 0 N--CA 1.483 1.79 0 C-N-CA 124.53 1.062 . . . . 0.0 113.537 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.14 -55.73 31.17 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.085 1.354 . . . . 0.0 111.761 171.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.6 t -64.74 -33.18 75.37 Favored 'General case' 0 CA--C 1.561 1.398 0 C-N-CA 124.191 0.996 . . . . 0.0 113.169 176.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.96 -51.79 65.53 Favored 'General case' 0 C--O 1.255 1.355 0 C-N-CA 123.934 0.894 . . . . 0.0 112.355 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.1 -47.98 79.74 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.583 171.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -56.05 -45.42 79.23 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 120.814 -1.179 . . . . 0.0 112.056 176.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.4 t -61.02 -36.57 79.86 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.692 1.197 . . . . 0.0 112.431 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -78.3 -20.05 52.32 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.782 1.233 . . . . 0.0 113.081 171.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.09 6.24 45.72 Favored Glycine 0 CA--C 1.555 2.573 0 C-N-CA 125.687 1.613 . . . . 0.0 114.459 178.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.4 mt -76.01 106.33 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 127.753 2.421 . . . . 0.0 109.137 -176.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.1 -9.04 35.36 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.391 1.077 . . . . 0.0 113.846 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.4 m -67.35 -1.89 5.35 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.572 1.149 . . . . 0.0 113.96 167.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.9 p30 -38.93 -50.89 1.77 Allowed 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 -178.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.4 t -61.47 -34.63 75.77 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.913 1.285 . . . . 0.0 114.022 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.27 -42.49 23.03 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.882 0.873 . . . . 0.0 112.362 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.2 tp -60.16 -46.3 90.17 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 124.751 1.22 . . . . 0.0 111.105 174.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.32 -40.48 74.47 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.496 0.718 . . . . 0.0 111.788 176.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.63 10.32 56.41 Favored Glycine 0 CA--C 1.56 2.859 0 C-N-CA 125.91 1.719 . . . . 0.0 115.939 173.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -130.16 -34.16 1.67 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.286 1.434 . . . . 0.0 112.39 -178.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.418 HD23 ' HB1' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -60.44 -40.37 90.85 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.511 1.124 . . . . 0.0 110.417 167.731 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.15 -35.95 65.27 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.026 0.93 . . . . 0.0 113.414 172.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -70.42 -42.87 71.03 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.247 1.019 . . . . 0.0 111.982 174.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.33 -43.52 85.89 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 174.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.5 t -72.37 -50.46 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.938 1.695 . . . . 0.0 111.254 -178.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.2 -35.96 86.68 Favored Glycine 0 CA--C 1.544 1.896 0 C-N-CA 124.068 0.842 . . . . 0.0 112.139 174.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.95 -21.0 22.21 Favored Glycine 0 CA--C 1.546 2.026 0 C-N-CA 125.377 1.465 . . . . 0.0 116.083 173.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.2 t -131.81 15.61 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 C-N-CA 125.238 1.415 . . . . 0.0 110.282 176.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.03 128.16 45.62 Favored Glycine 0 CA--C 1.538 1.5 0 O-C-N 120.981 -1.074 . . . . 0.0 111.321 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 48.31 88.4 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 126.967 2.107 . . . . 0.0 115.032 -176.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 179.77 -34.8 0.07 OUTLIER Glycine 0 N--CA 1.479 1.553 0 CA-C-O 119.144 -0.809 . . . . 0.0 114.572 170.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.6 -98.35 0.14 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.134 0.974 . . . . 0.0 110.314 171.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 91.4 p -174.68 -178.07 1.26 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 125.675 1.59 . . . . 0.0 111.185 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.0 -29.38 0.82 Allowed 'General case' 0 CA--C 1.543 0.675 0 CA-C-O 117.408 -1.282 . . . . 0.0 114.22 161.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.5 t -62.35 -49.44 75.58 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.846 1.203 . . . . 0.0 111.747 174.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.66 -35.93 75.59 Favored 'General case' 0 CA--C 1.553 1.069 0 O-C-N 121.727 -0.608 . . . . 0.0 112.416 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -65.67 -51.03 62.66 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 118.563 0.619 . . . . 0.0 109.5 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.04 -43.31 81.84 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.918 1.287 . . . . 0.0 113.623 172.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -70.04 -39.53 75.69 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 117.717 -1.135 . . . . 0.0 112.333 177.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.13 96.8 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 124.154 0.909 . . . . 0.0 112.364 172.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 33.0 mt -61.86 -56.9 14.75 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.065 0 C-N-CA 124.496 1.119 . . . . 0.0 111.689 173.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.46 -40.96 89.7 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.338 0.655 . . . . 0.0 112.379 -177.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -64.03 -45.21 89.9 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-O 116.456 -1.735 . . . . 0.0 110.749 174.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.76 -37.29 81.9 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 121.279 1.854 . . . . 0.0 111.937 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.37 -49.28 76.69 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 169.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -68.69 -37.13 84.23 Favored Glycine 0 CA--C 1.54 1.605 0 CA-C-O 119.279 -0.734 . . . . 0.0 113.225 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -56.19 -45.16 79.89 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.62 1.568 . . . . 0.0 111.36 175.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -63.3 -39.92 95.91 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 118.322 0.51 . . . . 0.0 111.187 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.1 mp -71.14 -39.22 72.12 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.69 1.196 . . . . 0.0 111.771 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.553 1.084 0 C-N-CA 124.31 1.044 . . . . 0.0 113.257 170.276 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.5 t . . . . . 0 N--CA 1.497 1.911 0 CA-C-O 121.531 0.682 . . . . 0.0 109.92 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.8 mp -66.97 140.08 57.72 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.724 171.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -144.94 22.28 1.58 Allowed 'General case' 0 CA--C 1.562 1.408 0 C-N-CA 126.783 2.033 . . . . 0.0 112.134 -172.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 53.56 43.38 31.3 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 125.685 1.594 . . . . 0.0 113.481 174.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -163.37 -40.65 0.02 OUTLIER Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.276 0.941 . . . . 0.0 113.073 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.6 10.76 29.06 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.237 1.415 . . . . 0.0 112.155 167.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.4 -49.66 76.69 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 120.935 1.698 . . . . 0.0 111.051 178.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 54.4 p -65.76 -37.53 86.61 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 176.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.85 -53.79 45.12 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.839 0.855 . . . . 0.0 111.543 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.6 mp -62.09 -35.88 80.02 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 116.811 -1.566 . . . . 0.0 111.991 172.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.77 -52.77 61.9 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 119.089 0.859 . . . . 0.0 113.045 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.89 -47.39 65.88 Favored Glycine 0 CA--C 1.56 2.875 0 O-C-N 125.073 1.483 . . . . 0.0 111.795 173.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 71.7 m -62.0 -43.69 98.3 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 116.294 -1.812 . . . . 0.0 115.457 173.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.41 -47.03 80.71 Favored 'General case' 0 CA--C 1.502 -0.889 0 O-C-N 124.39 1.056 . . . . 0.0 110.765 178.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -52.88 -55.18 25.09 Favored 'General case' 0 C--O 1.247 0.953 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 173.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -64.64 -29.62 70.63 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 126.573 2.421 . . . . 0.0 111.338 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -79.97 -45.41 18.52 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.767 1.167 . . . . 0.0 111.96 -176.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.6 tt -61.25 -46.81 88.87 Favored 'General case' 0 CA--C 1.555 1.142 0 O-C-N 124.731 1.269 . . . . 0.0 109.408 171.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 22.2 p -70.17 -32.96 71.15 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-O 118.126 -0.94 . . . . 0.0 113.536 174.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.24 -40.56 90.33 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 121.078 1.763 . . . . 0.0 112.21 173.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.9 t -59.33 -47.5 85.16 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 116.179 -1.867 . . . . 0.0 110.296 168.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.65 -41.78 95.65 Favored 'General case' 0 CA--C 1.563 1.47 0 CA-C-N 120.784 1.629 . . . . 0.0 114.382 175.128 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -56.23 -49.71 73.34 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 125.816 1.646 . . . . 0.0 111.121 170.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.1 t -71.86 -27.25 62.75 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.459 1.104 . . . . 0.0 111.829 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -66.74 -36.17 81.83 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 120.459 1.481 . . . . 0.0 112.29 172.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.6 t -60.03 -16.77 33.81 Favored 'General case' 0 CA--C 1.56 1.344 0 CA-C-N 119.47 1.032 . . . . 0.0 113.143 167.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -99.9 -7.58 25.09 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 126.242 1.817 . . . . 0.0 115.203 171.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -116.36 -22.37 8.83 Favored 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 124.445 1.098 . . . . 0.0 113.522 -177.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.19 -16.53 12.55 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 126.852 2.061 . . . . 0.0 112.381 173.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.3 m -131.49 31.7 4.28 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.389 2.276 . . . . 0.0 110.862 -177.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -11.29 0.41 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.623 1.169 . . . . 0.0 113.884 174.45 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -47.19 -37.28 9.91 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 124.853 1.261 . . . . 0.0 112.613 162.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -58.8 -33.55 70.48 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 125.425 1.49 . . . . 0.0 114.234 174.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -68.95 -50.32 50.2 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.387 0.675 . . . . 0.0 111.141 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -69.34 -41.21 76.93 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 118.522 -0.751 . . . . 0.0 111.451 174.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -74.89 34.26 0.1 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.182 1.793 . . . . 0.0 113.38 172.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 15.3 t -147.4 -47.69 0.17 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.402 1.481 . . . . 0.0 110.515 166.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.18 -46.81 22.08 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 177.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 18.0 t80 . . . . . 0 N--CA 1.479 1.003 0 O-C-N 121.627 -0.671 . . . . 0.0 112.468 -177.096 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 51.8 p90 . . . . . 0 CA--C 1.535 0.381 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.5 p -55.6 -36.22 66.68 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.759 1.223 . . . . 0.0 113.95 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.9 m -93.21 -30.71 15.06 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.48 0.712 . . . . 0.0 112.838 171.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.18 -43.41 98.89 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 120.016 1.28 . . . . 0.0 112.11 177.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -48.55 79.94 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.412 0.685 . . . . 0.0 110.281 172.104 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.89 -22.42 64.18 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -175.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.71 -35.71 22.34 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.489 1.116 . . . . 0.0 111.725 172.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.18 -29.03 66.94 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.226 -0.921 . . . . 0.0 113.18 170.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.428 ' HB1' ' HB2' ' A' ' 123' ' ' ALA . . . -52.35 -49.77 63.65 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.122 0.969 . . . . 0.0 111.439 165.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.9 m -58.68 -25.24 62.63 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 175.181 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.0 t -60.4 -43.31 96.79 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.706 1.139 . . . . 0.0 111.913 172.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.02 -34.59 26.25 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 176.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.41 ' CD2' ' HB1' ' A' ' 93' ' ' ALA . 0.9 OUTLIER -60.79 -39.99 90.92 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.593 0.757 . . . . 0.0 111.538 175.331 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.97 -17.13 64.47 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.09 1.356 . . . . 0.0 114.13 171.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.99 -9.12 59.67 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.443 1.497 . . . . 0.0 112.694 172.35 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.8 t -124.66 73.8 1.29 Allowed 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.581 1.552 . . . . 0.0 111.122 -177.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.7 m -55.36 -29.38 58.27 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.751 -1.218 . . . . 0.0 113.588 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.2 -9.84 49.95 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 173.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.2 tt -66.0 -40.61 87.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 CA-C-N 120.717 1.598 . . . . 0.0 111.678 166.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.0 m -62.75 -28.65 70.12 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 121.638 -0.663 . . . . 0.0 111.615 176.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -30.08 70.3 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.08 0.952 . . . . 0.0 113.421 173.534 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.26 -50.76 72.36 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.024 0.829 . . . . 0.0 110.705 170.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -69.91 -30.95 68.49 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.586 -0.696 . . . . 0.0 112.65 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.03 -29.94 70.88 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 121.312 -0.867 . . . . 0.0 112.955 172.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -20.22 35.52 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.467 1.107 . . . . 0.0 113.551 171.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.4 t -114.91 83.24 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.9 1.68 . . . . 0.0 110.744 -171.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.7 m -91.72 32.56 1.09 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.877 1.671 . . . . 0.0 113.749 -175.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.44 140.47 31.96 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.374 1.47 . . . . 0.0 111.664 -176.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.98 -59.16 5.47 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.663 1.185 . . . . 0.0 112.678 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.9 t -64.11 -34.06 77.2 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.577 0.751 . . . . 0.0 112.487 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.58 -34.61 74.39 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.009 -1.057 . . . . 0.0 112.637 175.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.37 96.75 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.326 0.966 . . . . 0.0 110.66 169.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.8 m -58.78 -42.65 89.52 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.582 0.753 . . . . 0.0 112.162 170.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.6 m -65.47 -40.72 93.49 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.338 1.055 . . . . 0.0 112.683 176.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 tt -62.73 -49.5 74.8 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 118.738 0.699 . . . . 0.0 110.036 173.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.82 -37.58 84.98 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.172 -0.955 . . . . 0.0 113.09 176.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -60.13 -57.45 12.78 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.47 -1.394 . . . . 0.0 111.397 171.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -59.21 -51.52 69.64 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.555 1.07 . . . . 0.0 112.761 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 25.8 mm -73.71 -36.78 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 124.4 1.08 . . . . 0.0 111.218 -175.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.23 -34.33 87.8 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 125.031 1.3 . . . . 0.0 113.252 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.97 -49.48 76.66 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.057 0.943 . . . . 0.0 110.108 168.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 t -66.59 -34.85 78.8 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 175.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.23 -52.01 51.95 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.949 1.3 . . . . 0.0 111.705 178.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.77 -46.4 70.97 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.404 0.682 . . . . 0.0 110.971 170.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -60.25 -38.54 83.77 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.5 t -62.97 -33.53 75.58 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.326 1.451 . . . . 0.0 112.701 177.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.509 HD21 ' HA ' ' A' ' 122' ' ' PHE . 3.1 mm? -85.75 -7.56 58.69 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.832 1.253 . . . . 0.0 113.127 171.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.12 10.17 84.19 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 125.495 1.521 . . . . 0.0 114.515 -176.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.1 mm -72.76 103.63 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 C-N-CA 126.098 1.759 . . . . 0.0 110.159 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.83 -14.44 33.31 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 178.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.7 p -66.81 -2.27 4.89 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 170.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -31.68 -56.87 0.28 Allowed 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 116.01 1.856 . . . . 0.0 116.01 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.6 t -61.4 -41.17 96.72 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.648 1.579 . . . . 0.0 114.018 176.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.3 -44.23 59.5 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.207 1.403 . . . . 0.0 112.035 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.6 tp -63.08 -46.44 87.41 Favored 'General case' 0 C--O 1.22 -0.478 0 C-N-CA 123.941 0.897 . . . . 0.0 110.806 173.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.57 -40.83 72.46 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.95 1.25 . . . . 0.0 111.712 176.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -70.78 -4.41 53.81 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 125.447 1.499 . . . . 0.0 115.897 172.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -119.02 -22.53 7.21 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.71 2.004 . . . . 0.0 112.881 177.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.503 HD11 ' HA ' ' A' ' 96' ' ' ILE . 13.5 tp -73.43 -36.54 65.96 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.923 1.689 . . . . 0.0 110.622 176.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.83 -24.69 62.35 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 165.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -43.22 36.04 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.281 1.4 . . . . 0.0 111.787 170.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.02 -35.77 81.34 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.124 0.874 . . . . 0.0 112.39 176.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 64.3 t -89.71 -35.26 7.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.805 1.242 . . . . 0.0 112.747 -178.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -77.65 -32.3 46.74 Favored Glycine 0 N--CA 1.47 0.939 0 CA-C-N 119.249 0.931 . . . . 0.0 113.027 176.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -64.31 -20.24 65.1 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.788 1.185 . . . . 0.0 113.819 169.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.8 t -136.95 53.86 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.952 1.701 . . . . 0.0 109.828 176.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.46 117.91 6.02 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 121.249 -0.907 . . . . 0.0 111.184 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 56.21 112.24 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 127.243 2.217 . . . . 0.0 115.092 -169.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 164.08 -37.94 0.31 Allowed Glycine 0 N--CA 1.473 1.121 0 O-C-N 121.192 -0.943 . . . . 0.0 114.328 171.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -101.26 -75.27 0.59 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.289 1.036 . . . . 0.0 110.707 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.6 p 169.92 179.97 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 127.511 2.324 . . . . 0.0 111.499 177.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.39 -31.19 1.57 Allowed 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 162.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.2 m -66.91 -32.58 73.93 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.809 1.64 . . . . 0.0 113.553 175.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.62 -47.41 69.73 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 119.235 0.925 . . . . 0.0 111.42 171.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.65 -46.68 74.93 Favored 'General case' 0 C--O 1.221 -0.442 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -178.464 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.41 ' HB1' ' CD2' ' A' ' 30' ' ' LEU . . . -52.4 -53.46 44.79 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.387 1.475 . . . . 0.0 113.542 172.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -68.62 -38.51 80.61 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.11 -0.947 . . . . 0.0 111.681 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.92 -37.9 89.18 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.86 1.209 . . . . 0.0 112.672 174.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.503 ' HA ' HD11 ' A' ' 76' ' ' LEU . 40.3 mt -64.62 -54.48 29.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 126.091 1.756 . . . . 0.0 110.353 174.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.16 -49.22 77.76 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.311 0.644 . . . . 0.0 110.92 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.1 mtt-85 -54.62 -56.88 14.46 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.834 1.253 . . . . 0.0 111.473 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.21 81.19 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 120.381 1.446 . . . . 0.0 113.47 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.11 -47.61 82.72 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.557 -0.714 . . . . 0.0 112.5 171.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -84.01 -23.26 52.88 Favored Glycine 0 CA--C 1.532 1.113 0 N-CA-C 115.141 0.816 . . . . 0.0 115.141 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -53.52 -40.18 65.24 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.988 1.394 . . . . 0.0 109.833 163.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.15 -34.42 68.49 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 175.175 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.41 -39.62 94.2 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 120.941 -1.099 . . . . 0.0 111.528 172.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.75 0 C-N-CA 125.467 1.507 . . . . 0.0 111.758 174.571 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.483 1.201 0 CA-C-O 121.048 0.451 . . . . 0.0 111.954 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 17.4 tp -100.61 123.0 44.23 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.141 1.776 . . . . 0.0 109.653 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -141.48 41.65 1.74 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.357 1.463 . . . . 0.0 111.209 -173.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 59.28 13.33 3.04 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 -177.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -112.1 -37.09 1.55 Allowed Glycine 0 N--CA 1.471 1.03 0 C-N-CA 124.984 1.278 . . . . 0.0 113.536 -176.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -116.85 32.18 6.31 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.63 1.972 . . . . 0.0 110.48 174.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.06 -58.43 7.93 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.85 1.26 . . . . 0.0 111.874 175.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 25.5 p -67.93 -32.24 72.56 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 176.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.57 -54.34 20.71 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.468 0.576 . . . . 0.0 112.034 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.44 -44.24 65.2 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-O 117.337 -1.316 . . . . 0.0 111.96 178.085 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -74.36 -35.64 63.55 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 120.908 1.686 . . . . 0.0 113.04 -176.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.9 -52.23 50.19 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.17 -1.172 . . . . 0.0 110.17 166.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 70.6 m -63.29 -36.73 84.64 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-O 117.709 -1.139 . . . . 0.0 114.073 175.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.509 ' HA ' HD21 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -68.29 -45.91 71.76 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 121.593 1.997 . . . . 0.0 111.13 177.776 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.428 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . . . -58.22 -51.51 69.47 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.76 0.824 . . . . 0.0 111.589 172.214 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -31.55 72.09 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 118.319 -0.848 . . . . 0.0 112.961 175.127 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -79.35 -44.88 20.69 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 119.87 1.214 . . . . 0.0 111.505 -177.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.4 tt -62.4 -44.24 96.91 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.094 0.957 . . . . 0.0 109.98 172.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.0 p -67.01 -45.21 78.23 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-O 117.845 -1.074 . . . . 0.0 112.686 174.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.81 -39.75 90.15 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 120.936 1.698 . . . . 0.0 112.114 174.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 37.2 m -59.3 -43.81 92.59 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-O 117.449 -1.263 . . . . 0.0 110.66 169.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.8 -41.56 97.91 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 121.108 1.776 . . . . 0.0 113.677 170.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -61.51 -41.2 96.96 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.831 1.196 . . . . 0.0 111.934 176.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 74.9 m -78.75 -31.23 46.18 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.777 1.231 . . . . 0.0 112.42 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -67.57 -20.25 65.37 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 117.277 -1.344 . . . . 0.0 112.093 172.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 70.3 m -53.38 -30.14 38.31 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 121.04 1.746 . . . . 0.0 113.325 164.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -77.56 -37.32 50.91 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.717 0.807 . . . . 0.0 112.981 172.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -81.34 -38.49 26.62 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -178.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -74.53 -24.91 59.03 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.775 1.63 . . . . 0.0 112.847 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.15 24.64 11.26 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.882 1.673 . . . . 0.0 111.512 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -6.07 3.63 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -51.7 -33.02 32.44 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.852 1.661 . . . . 0.0 112.933 169.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -84.19 -43.36 15.02 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 118.007 -0.997 . . . . 0.0 112.489 167.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -54.44 -29.17 48.62 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 -173.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -41.83 81.09 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.898 0.772 . . . . 0.0 112.521 172.357 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -76.32 155.18 34.44 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.079 -1.013 . . . . 0.0 110.738 166.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.2 t 65.54 -13.62 0.13 Allowed 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 116.32 1.97 . . . . 0.0 116.32 -176.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -106.33 -35.4 7.16 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.917 1.235 . . . . 0.0 112.769 168.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 11.0 t80 . . . . . 0 N--CA 1.473 0.718 0 O-C-N 121.345 -0.847 . . . . 0.0 112.39 177.596 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.534 ' CD1' ' HB2' ' A' ' 112' ' ' ALA . 48.9 p90 . . . . . 0 N--CA 1.471 0.592 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.2 m -54.23 -27.8 37.0 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 175.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.0 p -102.35 -31.04 10.7 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.706 0.685 . . . . 0.0 112.396 170.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.95 -42.12 97.63 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.46 1.027 . . . . 0.0 112.228 176.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.48 ' CE1' ' HA3' ' A' ' 101' ' ' GLY . 0.2 OUTLIER -64.94 -47.86 76.18 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 118.642 0.655 . . . . 0.0 110.511 173.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.43 -20.54 63.78 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.093 -1.004 . . . . 0.0 113.272 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -89.94 -36.73 14.83 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.009 1.324 . . . . 0.0 112.259 171.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.03 -26.86 66.98 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 120.768 -1.208 . . . . 0.0 113.232 171.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.04 -46.24 52.86 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.001 0.92 . . . . 0.0 111.731 162.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 t -58.85 -31.17 68.27 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.207 1.003 . . . . 0.0 113.456 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.6 t -57.06 -38.9 73.93 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 121.384 -0.823 . . . . 0.0 112.521 173.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.7 -35.78 16.56 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.302 1.041 . . . . 0.0 113.31 177.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.497 ' HG ' HG21 ' A' ' 36' ' ' ILE . 2.1 tp -61.2 -42.61 98.89 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.929 1.291 . . . . 0.0 111.495 176.089 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.28 -22.84 65.63 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.672 1.189 . . . . 0.0 113.595 171.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -17.02 62.14 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.911 1.284 . . . . 0.0 113.292 175.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -142.93 88.15 2.03 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.239 1.015 . . . . 0.0 112.331 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.4 t -52.46 -21.09 3.35 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.634 1.574 . . . . 0.0 114.603 177.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.06 -24.14 65.98 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 120.332 -1.48 . . . . 0.0 114.496 173.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.497 HG21 ' HG ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -65.15 -36.32 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 O-C-N 120.819 -1.176 . . . . 0.0 111.046 169.91 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.9 m -69.44 -36.3 76.51 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 120.892 -1.13 . . . . 0.0 112.009 173.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -32.7 69.44 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.063 -1.023 . . . . 0.0 112.312 169.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.545 ' HB2' ' HB1' ' A' ' 130' ' ' ALA . . . -56.62 -49.85 73.74 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.776 0.83 . . . . 0.0 112.413 176.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 89' ' ' ALA . 2.6 p90 -70.22 -35.53 73.94 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 118.697 -0.668 . . . . 0.0 111.611 172.011 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.92 -23.81 67.49 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 120.183 1.356 . . . . 0.0 114.063 -177.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.4 m -66.18 -3.55 5.88 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.124 1.37 . . . . 0.0 114.646 169.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -142.97 155.65 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 126.516 1.926 . . . . 0.0 111.027 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 64.5 p -146.57 31.79 0.97 Allowed 'General case' 0 N--CA 1.479 0.985 0 O-C-N 120.532 -1.355 . . . . 0.0 113.456 -172.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.9 t -142.33 137.82 30.82 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.503 1.521 . . . . 0.0 110.814 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.3 -43.6 88.17 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -177.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.2 m -72.89 -27.78 62.1 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.208 1.003 . . . . 0.0 113.533 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.36 -30.84 27.12 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.126 -0.984 . . . . 0.0 111.958 173.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.93 -32.86 74.77 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.208 -0.933 . . . . 0.0 112.027 168.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.7 p -65.07 -38.17 89.92 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.275 -0.891 . . . . 0.0 112.338 168.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.1 t -66.88 -35.67 80.55 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.453 1.024 . . . . 0.0 113.534 171.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 22.2 tp -59.7 -59.49 5.35 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.757 0.823 . . . . 0.0 109.938 169.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.43 ' HB1' HD23 ' A' ' 76' ' ' LEU . . . -64.92 -26.13 68.18 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -177.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -61.14 -61.59 2.45 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.86 0.864 . . . . 0.0 110.294 166.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -61.84 -51.13 69.49 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.015 0.926 . . . . 0.0 113.3 -177.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.7 mm -68.64 -36.11 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 124.067 0.947 . . . . 0.0 110.747 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.38 -40.1 91.62 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-N 119.602 1.092 . . . . 0.0 113.306 176.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.44 -48.82 79.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.435 1.094 . . . . 0.0 110.354 171.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.0 t -66.38 -38.38 87.39 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 176.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.98 -51.8 59.73 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.471 1.108 . . . . 0.0 111.484 177.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.52 -49.0 68.51 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.076 0.95 . . . . 0.0 111.513 173.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -57.04 -47.64 80.43 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.63 0.772 . . . . 0.0 112.525 174.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.5 t -57.29 -36.46 71.08 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.351 1.461 . . . . 0.0 112.656 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.524 HD11 ' HA ' ' A' ' 122' ' ' PHE . 8.6 mt -79.9 -33.94 39.48 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.396 1.478 . . . . 0.0 113.016 175.559 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.73 2.19 19.21 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 126.081 1.8 . . . . 0.0 114.779 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.3 mp -68.17 107.14 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 C-N-CA 125.607 1.563 . . . . 0.0 110.057 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.56 -9.88 55.83 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 173.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.2 t -68.7 -0.82 5.75 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.186 0.994 . . . . 0.0 113.328 166.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.8 p30 -35.12 -51.39 0.54 Allowed 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.4 t -65.13 -42.61 93.7 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.706 1.602 . . . . 0.0 114.228 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.81 -40.86 60.84 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.222 1.009 . . . . 0.0 111.567 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.6 tp -62.3 -42.94 99.79 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 125.045 1.338 . . . . 0.0 111.518 172.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.71 -41.34 70.17 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 120.474 1.488 . . . . 0.0 111.81 175.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -74.34 2.54 44.92 Favored Glycine 0 CA--C 1.545 1.965 0 C-N-CA 125.622 1.582 . . . . 0.0 115.973 172.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -124.38 -34.09 2.95 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.736 1.614 . . . . 0.0 112.807 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.43 HD23 ' HB1' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -62.57 -41.48 98.96 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.74 1.616 . . . . 0.0 110.561 167.8 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.61 -37.04 67.61 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.531 1.133 . . . . 0.0 112.811 171.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -74.28 -27.32 60.68 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.298 1.039 . . . . 0.0 113.124 176.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.7 -57.12 4.03 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.198 0.908 . . . . 0.0 111.619 171.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.405 HG11 ' CB ' ' A' ' 53' ' ' ALA . 6.0 p -67.1 -32.13 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 O-C-N 121.429 -0.794 . . . . 0.0 112.527 -178.541 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -85.96 -26.25 35.11 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 124.675 1.131 . . . . 0.0 112.748 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -65.24 -25.54 71.17 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 124.226 0.917 . . . . 0.0 113.349 168.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 t -134.19 41.57 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 125.599 1.56 . . . . 0.0 110.833 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -90.15 153.86 23.21 Favored Glycine 0 CA--C 1.536 1.36 0 O-C-N 121.063 -1.023 . . . . 0.0 112.672 178.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 39.03 66.66 0.52 Allowed 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.684 1.994 . . . . 0.0 115.294 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -173.74 -35.55 0.04 OUTLIER Glycine 0 N--CA 1.475 1.256 0 N-CA-C 115.694 1.038 . . . . 0.0 115.694 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.39 -74.85 0.44 Allowed 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.051 0.926 . . . . 0.0 111.952 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.7 t 162.3 172.76 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 128.847 2.859 . . . . 0.0 110.099 -176.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . . . -40.31 -34.33 0.32 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.76 1.624 . . . . 0.0 114.069 157.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -59.13 -45.63 90.45 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.292 0.951 . . . . 0.0 111.576 176.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.71 -37.75 67.7 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 118.004 -0.998 . . . . 0.0 112.634 173.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -63.61 -51.8 63.67 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 120.223 1.374 . . . . 0.0 110.053 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.87 -48.9 74.74 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.389 1.476 . . . . 0.0 113.101 172.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -65.12 -38.93 92.23 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 119.352 0.978 . . . . 0.0 111.954 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.57 -46.32 76.39 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.754 1.161 . . . . 0.0 112.249 175.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 51.5 mt -59.3 -52.69 57.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 126.192 1.797 . . . . 0.0 110.405 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.86 -49.14 66.64 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.493 1.117 . . . . 0.0 112.454 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -58.69 -43.15 89.93 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.313 0.96 . . . . 0.0 111.003 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.36 88.12 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 119.629 1.104 . . . . 0.0 112.797 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.407 ' HB1' ' CG ' ' A' ' 122' ' ' PHE . . . -52.69 -47.77 67.0 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.366 0.666 . . . . 0.0 111.414 172.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.48 ' HA3' ' CE1' ' A' ' 22' ' ' PHE . . . -83.2 -20.26 61.02 Favored Glycine 0 CA--C 1.537 1.422 0 CA-C-O 118.247 -1.307 . . . . 0.0 115.762 177.222 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -55.72 -45.3 77.97 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 120.348 2.074 . . . . 0.0 109.87 169.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -62.81 -44.68 95.52 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 76.2 mt -59.57 -41.51 90.35 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.505 1.048 . . . . 0.0 112.109 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.774 0 C-N-CA 125.186 1.394 . . . . 0.0 112.13 174.609 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 121.212 0.529 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 15.7 tp -94.08 122.48 36.64 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.817 1.647 . . . . 0.0 109.548 173.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -131.1 26.19 4.9 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.82 1.248 . . . . 0.0 112.75 -172.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.534 ' HB2' ' CD1' ' A' ' 18' ' ' TYR . . . 60.79 25.65 15.5 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.805 1.642 . . . . 0.0 115.205 -177.022 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -135.62 -27.66 0.43 Allowed Glycine 0 N--CA 1.477 1.372 0 C-N-CA 125.342 1.448 . . . . 0.0 114.221 178.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -114.28 31.78 6.37 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.35 1.86 . . . . 0.0 111.17 171.293 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.51 -54.3 48.44 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.154 1.382 . . . . 0.0 112.867 177.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 52.8 p -69.24 -32.43 71.64 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.29 -54.72 21.51 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.107 0.563 . . . . 0.0 111.614 175.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.55 -51.01 55.82 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.394 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -73.99 -31.91 63.18 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.953 1.252 . . . . 0.0 113.11 -175.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -60.85 -45.68 96.04 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 166.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.4 t -63.49 -42.35 98.53 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.286 1.043 . . . . 0.0 112.294 173.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.524 ' HA ' HD11 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -64.22 -43.38 95.15 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 120.423 1.465 . . . . 0.0 111.891 178.766 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.67 -56.18 25.21 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.732 1.213 . . . . 0.0 111.785 171.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.7 ptt85 -62.15 -28.32 69.57 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 118.698 -0.668 . . . . 0.0 112.243 177.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.98 -38.94 64.0 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 124.384 1.074 . . . . 0.0 111.322 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -40.12 83.61 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 119.105 0.866 . . . . 0.0 111.571 164.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.5 m -62.97 -51.86 65.22 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.943 0.792 . . . . 0.0 111.919 172.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.82 -40.08 94.62 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.707 1.203 . . . . 0.0 112.626 -177.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 95.9 p -68.5 -40.85 80.69 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-O 117.31 -1.328 . . . . 0.0 111.239 171.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.545 ' HB1' ' HB2' ' A' ' 39' ' ' ALA . . . -61.14 -42.0 97.77 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 121.442 1.928 . . . . 0.0 114.042 172.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -57.99 -37.17 73.75 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.285 1.434 . . . . 0.0 111.922 175.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 74.8 m -82.76 -37.74 24.19 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.458 1.103 . . . . 0.0 113.127 173.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -67.35 -15.51 63.72 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.414 1.486 . . . . 0.0 112.317 176.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 35.6 t -49.68 -38.63 33.51 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 120.272 1.396 . . . . 0.0 112.088 162.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -21.04 64.51 Favored 'General case' 0 CA--C 1.551 0.996 0 O-C-N 120.366 -1.459 . . . . 0.0 114.212 172.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -112.6 -16.73 12.77 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 126.089 1.756 . . . . 0.0 113.969 -177.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -103.95 -24.54 13.24 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 127.0 2.12 . . . . 0.0 111.904 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 15.4 m -114.43 21.43 14.6 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.489 1.916 . . . . 0.0 111.407 175.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -63.01 15.3 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.461 1.504 . . . . 0.0 114.74 174.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -50.27 -28.41 7.68 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 126.003 1.721 . . . . 0.0 114.031 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -77.61 -49.43 14.61 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.201 1.401 . . . . 0.0 112.853 168.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -73.64 -22.4 60.0 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -174.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.85 -26.37 37.03 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.313 1.445 . . . . 0.0 113.416 175.251 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -58.83 142.71 49.65 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.069 0.85 . . . . 0.0 111.517 -178.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.5 t 85.85 -32.23 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 128.712 2.805 . . . . 0.0 113.344 -169.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -97.5 -48.5 5.25 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.907 0.883 . . . . 0.0 112.216 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.472 0.625 0 C-N-CA 124.61 1.164 . . . . 0.0 112.806 177.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.508 ' CD2' ' HB2' ' A' ' 112' ' ' ALA . 3.2 p90 . . . . . 0 CA--C 1.537 0.477 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.4 t -72.42 -37.18 68.69 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.782 1.233 . . . . 0.0 112.48 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.0 t -83.64 -38.92 20.91 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.957 0.903 . . . . 0.0 111.578 173.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.8 -30.83 71.12 Favored 'General case' 0 CA--C 1.55 0.967 0 O-C-N 121.129 -0.982 . . . . 0.0 113.307 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.534 ' CD2' HD11 ' A' ' 110' ' ' LEU . 12.6 t80 -52.67 -55.42 22.72 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.942 1.297 . . . . 0.0 109.822 162.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.24 -19.95 65.0 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -172.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -78.78 -39.9 34.66 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.426 1.091 . . . . 0.0 113.332 170.296 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.55 -31.64 71.0 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.014 -1.054 . . . . 0.0 112.545 173.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.483 ' HB1' ' HB2' ' A' ' 123' ' ' ALA . . . -52.79 -48.56 66.78 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.172 0.989 . . . . 0.0 110.835 163.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.99 -30.94 38.09 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 175.531 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.97 -37.93 81.05 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.92 1.236 . . . . 0.0 113.182 175.323 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.67 -32.46 14.73 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.732 0.813 . . . . 0.0 112.733 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.88 -43.33 94.83 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.532 0.733 . . . . 0.0 110.739 171.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.13 -22.06 66.37 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.574 1.149 . . . . 0.0 113.97 173.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.28 -13.7 61.98 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.721 1.208 . . . . 0.0 112.732 172.045 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.5 t -135.18 82.85 1.98 Allowed 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 126.02 1.728 . . . . 0.0 110.085 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.4 t -53.69 -25.47 18.4 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.09 0.956 . . . . 0.0 113.081 175.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.5 -19.48 9.86 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 169.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.5 tp -59.12 -42.06 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-N 120.038 1.29 . . . . 0.0 111.997 168.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.7 t -69.06 -36.75 78.01 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.806 0.843 . . . . 0.0 109.827 175.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -62.54 -28.14 69.65 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.04 -1.038 . . . . 0.0 113.635 173.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.468 ' HB2' ' HB1' ' A' ' 130' ' ' ALA . . . -60.46 -51.65 68.55 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.789 0.836 . . . . 0.0 111.772 171.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -45.04 95.26 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 118.705 -0.664 . . . . 0.0 110.493 172.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.14 -20.28 57.69 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -65.55 -22.99 66.76 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.443 1.497 . . . . 0.0 114.057 173.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.87 158.2 39.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 126.92 2.088 . . . . 0.0 110.565 -179.141 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.16 39.53 1.77 Allowed 'General case' 0 N--CA 1.477 0.903 0 O-C-N 120.687 -1.258 . . . . 0.0 112.222 -174.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 m -144.16 135.73 25.86 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.572 1.549 . . . . 0.0 111.419 -175.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.52 -45.86 84.49 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.474 1.51 . . . . 0.0 113.429 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.31 -36.6 58.23 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.604 0.762 . . . . 0.0 112.022 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.43 -30.95 70.83 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.13 -0.982 . . . . 0.0 112.926 174.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.24 86.66 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.435 -0.79 . . . . 0.0 112.19 169.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -41.99 85.0 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.275 0.63 . . . . 0.0 111.342 168.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.6 m -65.75 -39.88 91.53 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 172.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 22.5 tp -57.2 -54.09 50.71 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 120.102 1.319 . . . . 0.0 110.279 171.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.54 -37.25 85.36 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.153 -0.967 . . . . 0.0 112.775 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -61.53 -50.99 70.46 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.985 1.266 . . . . 0.0 111.265 173.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -62.02 -46.88 87.25 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.268 1.427 . . . . 0.0 112.513 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 26.2 mm -84.38 -36.8 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 124.045 0.938 . . . . 0.0 111.4 -175.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.51 -32.43 68.76 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 125.122 1.344 . . . . 0.0 113.013 172.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 tp -57.2 -50.99 71.11 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 117.734 0.767 . . . . 0.0 111.225 169.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.8 t -70.02 -33.54 72.14 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.236 1.014 . . . . 0.0 113.037 177.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.21 -52.62 61.53 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.314 1.046 . . . . 0.0 111.976 177.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.87 -45.69 82.31 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.415 0.686 . . . . 0.0 110.802 173.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.2 ttt85 -59.62 -40.62 88.18 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.5 t -62.45 -34.83 77.57 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.885 1.674 . . . . 0.0 112.416 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.659 HD21 ' HA ' ' A' ' 122' ' ' PHE . 4.3 mm? -85.87 -12.77 49.86 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.977 1.311 . . . . 0.0 112.449 174.112 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.49 6.26 80.96 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.929 1.728 . . . . 0.0 114.47 -176.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 44.9 mm -68.28 108.02 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 126.514 1.926 . . . . 0.0 109.8 175.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.84 -6.08 35.29 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.332 1.053 . . . . 0.0 113.752 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.9 m -79.84 18.51 0.79 Allowed 'General case' 0 C--O 1.223 -0.342 0 C-N-CA 125.44 1.496 . . . . 0.0 112.47 170.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -43.59 -51.51 6.86 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.63 1.172 . . . . 0.0 112.943 172.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.4 t -64.55 -43.97 92.26 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 177.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.37 -43.41 70.17 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.918 0.887 . . . . 0.0 111.94 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.3 tp -63.92 -45.5 88.95 Favored 'General case' 0 C--O 1.214 -0.77 0 C-N-CA 124.902 1.281 . . . . 0.0 110.865 171.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.3 -34.62 66.67 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 121.29 1.859 . . . . 0.0 111.868 176.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.62 -2.31 68.94 Favored Glycine 0 CA--C 1.545 1.96 0 C-N-CA 125.809 1.671 . . . . 0.0 116.315 170.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.95 -24.79 5.51 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 126.636 1.975 . . . . 0.0 112.885 176.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.503 HD11 ' HA ' ' A' ' 96' ' ' ILE . 12.7 tp -74.25 -41.69 60.88 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 126.983 2.113 . . . . 0.0 109.94 175.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.12 -29.83 23.6 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.837 1.655 . . . . 0.0 113.248 166.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -83.77 -35.55 24.25 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.329 1.052 . . . . 0.0 112.489 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.0 -51.14 27.23 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.697 -0.627 . . . . 0.0 111.272 173.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.6 p -65.24 -38.53 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.304 0.641 . . . . 0.0 111.653 176.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -76.03 -25.79 65.86 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.663 1.125 . . . . 0.0 113.043 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.07 -20.95 60.94 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.25 1.405 . . . . 0.0 113.811 170.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 t -132.25 38.71 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.757 1.623 . . . . 0.0 110.258 174.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.36 89.28 0.08 OUTLIER Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.885 1.231 . . . . 0.0 112.574 176.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 67.07 104.34 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 127.998 2.519 . . . . 0.0 113.403 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 168.13 -21.23 0.09 OUTLIER Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.672 1.13 . . . . 0.0 114.113 -176.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -120.32 -71.77 0.72 Allowed 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 117.461 -1.257 . . . . 0.0 112.243 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.4 t 156.61 -179.54 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 128.819 2.848 . . . . 0.0 110.702 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -43.54 -29.53 0.48 Allowed 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 125.241 1.416 . . . . 0.0 113.599 161.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.7 m -64.02 -37.37 87.16 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 121.343 1.883 . . . . 0.0 113.729 173.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.99 89.43 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 119.098 0.863 . . . . 0.0 111.692 171.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -74.85 -44.98 46.16 Favored 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 123.287 0.635 . . . . 0.0 109.499 -177.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.39 -53.33 59.38 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 126.798 2.039 . . . . 0.0 111.423 173.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.64 -37.64 82.73 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 117.71 -1.138 . . . . 0.0 111.841 177.023 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.56 -48.22 73.15 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-N 120.547 1.521 . . . . 0.0 111.057 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.503 ' HA ' HD11 ' A' ' 76' ' ' LEU . 66.5 mt -59.97 -47.69 90.7 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.424 0 C-N-CA 125.536 1.534 . . . . 0.0 110.112 175.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.15 -38.4 75.48 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.257 0.935 . . . . 0.0 113.483 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -63.43 -56.72 13.91 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 120.692 -1.255 . . . . 0.0 109.465 171.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.481 ' HB3' HD12 ' A' ' 76' ' ' LEU . . . -60.99 -35.14 76.04 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.965 1.257 . . . . 0.0 114.267 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -52.2 -62.78 1.42 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.515 1.126 . . . . 0.0 109.923 166.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.56 -30.04 75.78 Favored Glycine 0 CA--C 1.532 1.119 0 CA-C-O 119.137 -0.813 . . . . 0.0 114.398 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -56.73 -47.47 79.94 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.778 1.631 . . . . 0.0 109.93 175.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -66.15 -41.18 90.76 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.53 -41.21 93.33 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.556 0.742 . . . . 0.0 111.874 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.646 0 C-N-CA 126.468 1.907 . . . . 0.0 112.913 172.975 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 48.5 t . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 121.131 0.491 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.534 HD11 ' CD2' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -87.69 125.42 34.39 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.218 1.007 . . . . 0.0 109.791 178.469 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -136.41 25.89 3.17 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.988 1.315 . . . . 0.0 111.628 -173.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.508 ' HB2' ' CD2' ' A' ' 18' ' ' TYR . . . 50.96 43.71 28.7 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.473 1.509 . . . . 0.0 114.054 -177.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -153.78 -42.31 0.02 OUTLIER Glycine 0 N--CA 1.474 1.205 0 C-N-CA 124.221 0.915 . . . . 0.0 112.778 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.05 9.95 42.46 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.343 1.457 . . . . 0.0 112.478 168.109 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.31 -52.47 65.49 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.699 1.136 . . . . 0.0 110.954 -178.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.1 t -62.34 -39.4 92.98 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.081 -1.012 . . . . 0.0 113.461 175.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.28 -52.22 65.62 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.428 0.691 . . . . 0.0 111.824 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.51 -30.99 67.9 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 117.542 -1.218 . . . . 0.0 112.281 175.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.51 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . . . -64.78 -52.38 57.22 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 120.389 1.449 . . . . 0.0 112.563 177.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -52.41 -49.6 50.94 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 172.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 34.8 m -59.76 -38.66 82.39 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 173.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.659 ' HA ' HD21 ' A' ' 64' ' ' LEU . 1.2 t80 -66.76 -47.64 71.59 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 121.246 1.839 . . . . 0.0 111.975 178.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.483 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . . . -59.15 -56.52 21.09 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 123.824 0.85 . . . . 0.0 111.243 174.325 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -32.81 68.13 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 119.039 -0.505 . . . . 0.0 111.728 174.348 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.84 -49.66 67.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 120.198 1.363 . . . . 0.0 111.649 176.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.418 HD13 ' CG2' ' A' ' 96' ' ' ILE . 0.0 OUTLIER -61.95 -36.09 80.38 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.662 0.785 . . . . 0.0 112.347 172.676 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.94 -43.24 79.59 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 118.619 -0.705 . . . . 0.0 111.14 175.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.35 -45.08 77.41 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.458 1.503 . . . . 0.0 112.339 176.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.3 p -62.94 -42.57 99.85 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 117.624 -1.179 . . . . 0.0 111.022 173.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.468 ' HB1' ' HB2' ' A' ' 39' ' ' ALA . . . -64.01 -43.38 95.8 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 120.878 1.672 . . . . 0.0 114.293 172.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -59.47 -44.96 92.9 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.164 1.785 . . . . 0.0 111.467 175.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 69.9 m -72.8 -35.83 67.45 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 123.346 0.658 . . . . 0.0 111.399 174.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -63.03 -17.14 61.9 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 120.108 -1.62 . . . . 0.0 113.291 172.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 46.1 m -57.32 -26.28 60.66 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 120.504 1.502 . . . . 0.0 113.187 163.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -48.48 45.03 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.061 0.944 . . . . 0.0 111.46 167.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.98 -32.07 61.6 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -174.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -70.93 -29.89 66.05 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.688 1.195 . . . . 0.0 112.547 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 66.3 m -120.11 31.19 6.62 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.382 1.873 . . . . 0.0 110.374 -176.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.96 0.68 4.18 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 178.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -46.89 -30.05 2.32 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.782 2.033 . . . . 0.0 113.639 174.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -111.71 -29.67 7.62 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.325 1.05 . . . . 0.0 113.745 171.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -56.87 -28.72 62.14 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.38 1.072 . . . . 0.0 111.883 -176.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -50.84 -27.18 6.84 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 170.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -133.23 37.82 3.35 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.822 1.649 . . . . 0.0 111.547 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.74 -31.58 0.09 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.546 1.138 . . . . 0.0 113.384 176.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -97.56 -44.64 6.73 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 125.36 1.464 . . . . 0.0 111.522 174.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.545 0.76 0 CA-C-N 118.96 0.8 . . . . 0.0 112.037 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.0 p90 . . . . . 0 C--O 1.221 -0.404 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 98.0 p -66.19 -37.14 84.88 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.923 1.238 . . . . 0.0 113.402 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.3 p -90.75 -37.91 13.37 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.365 1.066 . . . . 0.0 111.753 176.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.65 -29.8 70.41 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.746 0.818 . . . . 0.0 113.194 174.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.425 ' CD2' ' HB2' ' A' ' 119' ' ' ALA . 10.6 t80 -53.04 -59.92 3.93 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.997 1.319 . . . . 0.0 109.822 163.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.17 -11.26 28.89 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -172.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.94 -46.98 49.46 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.627 1.571 . . . . 0.0 112.706 169.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.33 -23.78 57.3 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.4 1.08 . . . . 0.0 112.95 174.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.454 ' HB1' ' HB2' ' A' ' 123' ' ' ALA . . . -53.62 -46.55 70.51 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.309 0.644 . . . . 0.0 110.027 164.296 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.01 -29.7 44.42 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 173.559 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.9 m -60.81 -36.01 77.97 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 120.099 1.318 . . . . 0.0 113.165 176.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.68 -33.98 14.84 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.053 0.941 . . . . 0.0 112.458 176.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.488 ' CD1' ' HB1' ' A' ' 123' ' ' ALA . 0.4 OUTLIER -61.3 -41.34 96.83 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.538 0.735 . . . . 0.0 112.081 173.649 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.83 -21.08 66.45 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.222 1.409 . . . . 0.0 113.556 172.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.63 -14.31 59.99 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.251 1.421 . . . . 0.0 112.435 171.25 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.8 m -141.71 69.9 1.33 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.493 1.517 . . . . 0.0 112.132 -174.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.1 p -54.98 -19.12 6.08 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 175.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.29 -21.46 3.52 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.451 1.5 . . . . 0.0 114.144 167.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -42.74 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 119.319 0.963 . . . . 0.0 112.292 171.509 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.9 m -67.25 -29.89 69.64 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.928 0.891 . . . . 0.0 110.421 178.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.2 -33.76 76.18 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.576 1.15 . . . . 0.0 113.494 171.192 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.95 -46.89 82.7 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.505 0.593 . . . . 0.0 111.233 175.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -69.76 -28.44 65.78 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 113.04 0.755 . . . . 0.0 113.04 174.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.03 -20.85 64.14 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 119.196 0.907 . . . . 0.0 113.051 171.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.0 t -73.7 -29.44 62.28 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.777 1.231 . . . . 0.0 113.33 176.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -109.86 153.49 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 126.27 1.828 . . . . 0.0 110.97 178.464 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.13 41.49 1.18 Allowed 'General case' 0 N--CA 1.48 1.064 0 O-C-N 120.595 -1.315 . . . . 0.0 112.614 -175.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 m -144.26 135.96 25.94 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.825 1.65 . . . . 0.0 110.528 -174.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.82 -48.99 79.44 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.107 0.963 . . . . 0.0 113.021 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -36.94 69.58 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.178 0.991 . . . . 0.0 112.484 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.63 -32.56 68.1 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.653 -1.28 . . . . 0.0 112.877 175.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.84 -38.5 89.04 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.373 -0.83 . . . . 0.0 111.495 170.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.63 -39.9 95.29 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.491 0.587 . . . . 0.0 112.289 170.203 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.1 t -60.83 -46.82 89.06 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 118.344 -0.836 . . . . 0.0 111.841 170.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 tt -60.72 -43.79 97.42 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 120.269 1.395 . . . . 0.0 112.209 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.708 ' HB1' HD23 ' A' ' 76' ' ' LEU . . . -56.92 -40.95 77.29 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 120.948 -1.095 . . . . 0.0 113.22 170.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -64.36 -49.16 72.74 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.302 0.956 . . . . 0.0 111.394 170.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.79 -45.58 85.66 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.88 1.672 . . . . 0.0 112.61 -171.123 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.415 HG22 HD22 ' A' ' 126' ' ' LEU . 10.0 mm -86.19 -35.93 9.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 125.791 1.636 . . . . 0.0 109.317 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.92 -38.23 88.04 Favored Glycine 0 N--CA 1.477 1.394 0 C-N-CA 125.77 1.652 . . . . 0.0 113.597 172.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.4 -47.5 72.66 Favored 'General case' 0 C--O 1.224 -0.243 0 C-N-CA 123.221 0.608 . . . . 0.0 110.851 167.219 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 t -69.08 -33.9 74.26 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.01 -49.73 75.86 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 121.1 1.773 . . . . 0.0 111.666 173.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.84 -48.3 72.09 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 119.235 -0.412 . . . . 0.0 112.092 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -62.42 -37.13 84.65 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.95 1.3 . . . . 0.0 114.334 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.1 t -59.51 -36.61 76.43 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.066 1.746 . . . . 0.0 112.094 173.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 79.0 mt -88.97 -11.99 42.8 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.052 1.341 . . . . 0.0 113.212 175.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.96 7.37 70.65 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 126.414 1.959 . . . . 0.0 114.756 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 25.9 mm -65.35 107.59 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 126.384 1.874 . . . . 0.0 109.922 176.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.9 -10.77 55.91 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.401 1.08 . . . . 0.0 113.775 175.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.6 m -70.85 2.15 4.63 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-O 117.914 -1.041 . . . . 0.0 112.759 166.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.3 p30 -40.22 -55.61 2.12 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 120.767 1.621 . . . . 0.0 114.572 173.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.8 t -64.74 -41.26 96.06 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.438 1.095 . . . . 0.0 113.449 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.27 -43.19 57.92 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.5 1.12 . . . . 0.0 111.987 -177.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -47.84 76.41 Favored 'General case' 0 C--O 1.216 -0.658 0 C-N-CA 126.737 2.015 . . . . 0.0 109.961 173.123 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.4 -42.62 61.57 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 120.637 1.562 . . . . 0.0 112.115 171.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -70.88 -2.93 48.83 Favored Glycine 0 CA--C 1.542 1.756 0 C-N-CA 125.722 1.63 . . . . 0.0 116.208 172.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -116.91 -26.76 6.79 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 127.397 2.279 . . . . 0.0 112.533 174.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.708 HD23 ' HB1' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -69.88 -44.84 68.94 Favored 'General case' 0 CA--C 1.523 -0.076 0 C-N-CA 126.502 1.921 . . . . 0.0 110.335 174.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.68 -27.55 28.34 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.08 1.352 . . . . 0.0 112.782 168.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.62 -37.35 50.33 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.789 -1.194 . . . . 0.0 112.247 174.462 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.37 -51.94 31.95 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.723 0.692 . . . . 0.0 111.754 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.609 HG11 ' HB2' ' A' ' 53' ' ' ALA . 8.0 p -69.06 -35.47 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 O-C-N 121.622 -0.674 . . . . 0.0 111.941 175.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.9 -19.0 79.3 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 124.275 0.941 . . . . 0.0 112.771 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -74.91 -9.29 83.48 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 125.349 1.452 . . . . 0.0 114.217 168.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.4 p -137.13 16.56 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.028 1.331 . . . . 0.0 112.67 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -56.98 111.28 2.68 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 124.792 1.187 . . . . 0.0 112.117 -178.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 56.11 105.77 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.964 2.105 . . . . 0.0 114.637 -169.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 166.84 -43.8 0.26 Allowed Glycine 0 N--CA 1.472 1.034 0 O-C-N 121.371 -0.831 . . . . 0.0 113.558 171.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -89.57 -86.88 0.18 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.992 0.917 . . . . 0.0 110.615 174.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.1 p 167.36 -176.72 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 127.564 2.346 . . . . 0.0 111.47 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.04 -26.87 0.49 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 117.295 -1.336 . . . . 0.0 114.043 162.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.6 p -64.37 -48.02 77.07 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 121.376 1.898 . . . . 0.0 111.503 173.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.08 -32.76 69.49 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 117.881 -1.057 . . . . 0.0 111.926 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 -69.86 -52.56 23.83 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 120.012 1.278 . . . . 0.0 109.223 176.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.7 -41.96 82.77 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.248 1.419 . . . . 0.0 113.672 175.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -71.54 -44.09 65.22 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-O 118.295 -0.859 . . . . 0.0 110.748 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.33 -33.52 74.84 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 120.528 1.513 . . . . 0.0 112.088 174.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 32.3 mt -68.73 -58.86 4.52 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 C-N-CA 126.54 1.936 . . . . 0.0 109.391 173.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.48 -44.21 95.06 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 120.599 1.545 . . . . 0.0 113.021 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.5 ptm85 -62.18 -43.01 99.79 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.871 -1.143 . . . . 0.0 112.262 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.23 -37.9 69.06 Favored 'General case' 0 N--CA 1.46 0.075 0 CA-C-N 119.799 1.181 . . . . 0.0 110.966 176.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.413 ' HB1' ' CD1' ' A' ' 122' ' ' PHE . . . -55.13 -36.06 65.36 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 117.376 -1.297 . . . . 0.0 110.544 174.207 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.424 ' HA3' ' CD1' ' A' ' 22' ' ' PHE . . . -86.91 -27.62 28.32 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 125.349 1.452 . . . . 0.0 115.405 171.152 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.55 -41.62 81.34 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.508 1.654 . . . . 0.0 109.382 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -65.66 -42.59 91.2 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.533 HD21 ' CE2' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -71.33 -36.38 71.53 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.793 -0.567 . . . . 0.0 111.549 178.037 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.917 0 C-N-CA 124.697 1.199 . . . . 0.0 112.992 170.7 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 74.2 t . . . . . 0 N--CA 1.482 1.126 0 CA-C-O 120.778 0.323 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.415 HD11 ' CD2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -79.77 138.31 37.23 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.614 0.766 . . . . 0.0 111.909 171.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -132.84 23.25 4.25 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.408 1.483 . . . . 0.0 112.348 -174.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 49.35 51.54 16.13 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.596 1.159 . . . . 0.0 113.602 -177.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -166.14 -47.39 0.02 OUTLIER Glycine 0 N--CA 1.472 1.089 0 C-N-CA 124.127 0.87 . . . . 0.0 113.109 -176.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.49 12.94 17.08 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.704 1.201 . . . . 0.0 112.401 165.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.09 -56.43 20.91 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 119.953 1.251 . . . . 0.0 110.295 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 36.5 m -66.83 -35.73 80.72 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.67 -51.24 58.32 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.994 0.918 . . . . 0.0 111.759 177.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.08 -27.79 65.93 Favored 'General case' 0 C--O 1.218 -0.592 0 C-N-CA 124.318 1.047 . . . . 0.0 111.382 176.244 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.425 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . . . -72.44 -54.48 9.22 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 119.507 1.049 . . . . 0.0 113.117 178.244 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -52.7 -45.74 60.08 Favored Glycine 0 CA--C 1.527 0.781 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 172.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.9 p -63.49 -41.87 98.56 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 116.954 -1.498 . . . . 0.0 113.399 174.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.533 ' CE2' HD21 ' A' ' 104' ' ' LEU . 0.5 OUTLIER -62.53 -46.39 88.59 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 121.967 2.167 . . . . 0.0 113.72 176.829 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.488 ' HB1' ' CD1' ' A' ' 30' ' ' LEU . . . -57.32 -56.33 23.22 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.445 1.098 . . . . 0.0 111.711 174.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.04 -32.66 72.27 Favored 'General case' 0 C--O 1.21 -0.977 0 CA-C-O 117.166 -1.397 . . . . 0.0 111.618 174.381 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.49 -37.76 68.34 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 121.246 1.839 . . . . 0.0 111.74 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.415 HD22 HG22 ' A' ' 56' ' ' ILE . 1.8 tm? -66.66 -52.72 41.75 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 124.363 1.065 . . . . 0.0 109.39 171.063 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.9 t -59.05 -34.32 71.79 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-O 118.55 -0.738 . . . . 0.0 112.527 175.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.17 96.74 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 120.931 1.696 . . . . 0.0 111.253 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 36.1 t -62.04 -53.35 56.83 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 118.901 -0.571 . . . . 0.0 110.615 169.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.71 -43.2 72.35 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -59.51 -40.34 86.8 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 128.859 2.864 . . . . 0.0 112.13 175.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.2 m -79.36 -32.27 43.17 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.821 0.848 . . . . 0.0 112.248 173.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -68.83 -27.28 65.7 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.108 1.363 . . . . 0.0 111.277 173.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 45.5 m -60.73 -5.62 1.37 Allowed 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.639 -1.288 . . . . 0.0 113.792 164.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -109.54 -12.9 14.63 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.78 1.632 . . . . 0.0 113.677 171.374 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -108.41 -22.09 12.46 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.349 1.459 . . . . 0.0 113.657 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -114.85 -23.99 8.88 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.184 2.194 . . . . 0.0 113.066 174.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 11.8 t -126.03 38.03 4.22 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.158 1.383 . . . . 0.0 110.796 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -13.93 0.19 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.366 1.467 . . . . 0.0 114.246 172.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -50.26 -23.09 2.05 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.879 1.271 . . . . 0.0 113.515 163.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -75.27 -24.11 57.54 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.875 1.67 . . . . 0.0 114.079 171.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -78.85 -47.36 16.74 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 120.921 -1.112 . . . . 0.0 111.136 175.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -10.49 58.39 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 173.537 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -66.77 54.4 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 127.344 2.257 . . . . 0.0 113.865 173.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 42.4 t -164.49 -38.43 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 127.839 2.455 . . . . 0.0 110.721 175.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -102.92 -19.89 14.46 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.908 1.283 . . . . 0.0 113.96 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.472 0.659 0 C-N-CA 125.189 1.396 . . . . 0.0 112.343 177.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.9 p90 . . . . . 0 C--O 1.222 -0.381 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.1 p -71.92 -35.07 69.55 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 119.506 1.048 . . . . 0.0 112.37 -174.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 81.7 p -68.71 -41.02 79.68 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.51 0.595 . . . . 0.0 111.186 171.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.22 -39.69 82.29 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.26 1.024 . . . . 0.0 112.884 176.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.449 ' CD2' ' HB2' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -58.56 -60.9 3.08 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.261 1.424 . . . . 0.0 109.342 168.386 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.55 -14.32 60.83 Favored 'General case' 0 CA--C 1.552 1.022 0 O-C-N 119.897 -1.752 . . . . 0.0 113.646 -175.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -82.17 -46.18 14.12 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.15 1.38 . . . . 0.0 113.081 167.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.61 -25.45 67.39 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 120.952 -1.093 . . . . 0.0 113.007 173.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.423 ' HB1' ' HB2' ' A' ' 123' ' ' ALA . . . -51.37 -48.88 62.37 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.427 1.091 . . . . 0.0 111.069 164.322 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.0 t -55.07 -27.69 46.81 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 174.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 t -58.8 -39.08 80.07 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.748 1.158 . . . . 0.0 112.676 175.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.39 -33.72 15.15 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.666 0.786 . . . . 0.0 112.856 175.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.424 HD13 ' HB1' ' A' ' 123' ' ' ALA . 0.4 OUTLIER -62.08 -36.43 81.66 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.385 0.674 . . . . 0.0 112.782 176.052 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.29 -22.37 66.83 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.317 1.447 . . . . 0.0 113.551 171.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -85.6 -6.62 59.14 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.393 1.877 . . . . 0.0 112.354 172.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.79 61.74 1.67 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.279 1.831 . . . . 0.0 111.721 -172.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 t -55.14 -26.65 39.91 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 121.044 -1.035 . . . . 0.0 113.741 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.23 -14.81 7.94 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 170.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.08 -39.95 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 O-C-N 120.382 -1.449 . . . . 0.0 111.842 168.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.1 m -66.14 -29.21 69.47 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 121.685 -0.634 . . . . 0.0 110.608 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.415 ' HA ' ' HB3' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -68.17 -28.6 67.43 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.17 0.988 . . . . 0.0 113.49 171.719 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.07 -49.46 76.84 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.923 0.783 . . . . 0.0 110.262 170.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.34 -37.31 80.38 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.605 0.762 . . . . 0.0 112.555 175.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.415 ' HB3' ' HA ' ' A' ' 38' ' ' ARG . . . -62.26 -22.91 66.37 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.096 -1.002 . . . . 0.0 113.314 175.407 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 t -73.54 -6.22 45.17 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.237 1.415 . . . . 0.0 113.742 171.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.2 p -147.56 98.51 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.201 1.401 . . . . 0.0 113.277 -174.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.5 p -83.08 31.0 0.44 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.311 1.444 . . . . 0.0 114.823 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 m -140.65 129.6 23.27 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.555 1.542 . . . . 0.0 111.681 -173.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.13 -46.62 89.02 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.284 1.034 . . . . 0.0 113.439 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.53 -34.2 72.01 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.322 0.649 . . . . 0.0 112.078 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.02 -31.87 61.46 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.01 -1.056 . . . . 0.0 112.721 173.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.08 -28.17 69.9 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 120.998 -1.064 . . . . 0.0 112.291 170.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.02 -41.19 97.83 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.445 -0.784 . . . . 0.0 112.493 167.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.7 t -66.01 -35.83 81.63 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.52 0.728 . . . . 0.0 112.492 172.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.1 tp -61.39 -50.73 71.68 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.443 1.02 . . . . 0.0 111.358 171.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.611 ' HB1' HD23 ' A' ' 76' ' ' LEU . . . -61.84 -30.81 71.09 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 176.06 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -61.43 -52.88 62.73 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.847 0.749 . . . . 0.0 110.53 164.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -58.0 -49.01 78.29 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.333 1.453 . . . . 0.0 112.634 -175.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.0 mm -86.07 -35.86 9.78 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 CA-C-O 118.588 -0.72 . . . . 0.0 111.184 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.71 -35.76 92.35 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-N 120.295 1.407 . . . . 0.0 113.423 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.66 -53.2 60.79 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 117.977 0.889 . . . . 0.0 109.956 169.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.9 t -67.51 -28.49 67.87 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.09 -62.6 1.52 Allowed 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 125.131 1.372 . . . . 0.0 109.678 174.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.08 -45.03 42.55 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.658 0.783 . . . . 0.0 111.222 172.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -61.85 -41.47 97.86 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 120.488 -1.382 . . . . 0.0 114.293 174.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.7 m -62.09 -31.62 72.09 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.767 1.627 . . . . 0.0 112.738 175.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.47 HD13 ' CE1' ' A' ' 122' ' ' PHE . 1.3 mt -88.69 -15.07 35.79 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.994 1.317 . . . . 0.0 113.763 173.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.12 20.13 40.09 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 125.864 1.697 . . . . 0.0 114.586 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.6 mm -88.97 112.25 23.87 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 C-N-CA 127.101 2.16 . . . . 0.0 109.751 -174.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.29 -9.4 23.86 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.0 m -67.15 -6.88 19.63 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-O 117.519 -1.229 . . . . 0.0 113.091 167.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.4 p30 -39.86 -54.07 2.2 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 120.994 1.725 . . . . 0.0 115.06 177.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.8 t -63.7 -43.27 97.09 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.157 1.383 . . . . 0.0 113.504 178.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.23 -43.59 60.96 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.2 1.0 . . . . 0.0 111.623 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.3 tp -62.02 -44.28 97.04 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 126.73 2.012 . . . . 0.0 111.188 173.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.95 -35.37 66.6 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 120.713 1.597 . . . . 0.0 111.937 175.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -86.08 5.93 82.76 Favored Glycine 0 CA--C 1.541 1.666 0 C-N-CA 125.252 1.406 . . . . 0.0 115.99 172.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -127.6 -30.09 2.59 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.779 1.789 . . . . 0.0 113.291 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.611 HD23 ' HB1' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -68.89 -39.11 79.93 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 126.574 1.95 . . . . 0.0 110.399 171.69 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.6 -33.03 44.46 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.228 1.411 . . . . 0.0 112.774 167.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -74.98 -29.54 60.93 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.981 -1.075 . . . . 0.0 112.958 174.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.18 -56.15 4.91 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.44 1.018 . . . . 0.0 111.205 174.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.569 HG11 ' CB ' ' A' ' 53' ' ' ALA . 7.9 p -65.66 -31.47 53.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 O-C-N 121.701 -0.624 . . . . 0.0 112.431 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -89.68 -20.03 45.75 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 124.978 1.275 . . . . 0.0 112.725 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.47 -24.05 77.32 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.663 1.125 . . . . 0.0 113.018 167.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 t -137.28 43.96 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.746 1.618 . . . . 0.0 110.948 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -91.4 150.66 20.54 Favored Glycine 0 CA--C 1.537 1.417 0 O-C-N 121.304 -0.873 . . . . 0.0 111.777 175.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 41.12 80.2 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.762 2.025 . . . . 0.0 115.591 -177.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 176.17 -36.3 0.1 OUTLIER Glycine 0 N--CA 1.474 1.204 0 O-C-N 121.728 -0.608 . . . . 0.0 114.313 173.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -90.99 -87.85 0.19 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.25 1.02 . . . . 0.0 110.529 173.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.1 p 170.93 -176.27 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 126.985 2.114 . . . . 0.0 111.202 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.75 -25.23 1.17 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 117.668 -1.158 . . . . 0.0 113.689 161.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.21 -48.77 74.6 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 121.053 1.752 . . . . 0.0 111.525 172.593 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.63 -36.92 76.57 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 117.693 -1.146 . . . . 0.0 112.389 173.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -66.48 -51.96 51.25 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 120.544 1.52 . . . . 0.0 109.632 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.65 -41.65 95.4 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.594 1.157 . . . . 0.0 113.626 174.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -68.81 -41.91 78.02 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 119.966 1.257 . . . . 0.0 110.867 176.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.17 96.39 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 120.139 1.336 . . . . 0.0 111.903 174.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.5 mt -65.77 -52.99 43.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 126.239 1.816 . . . . 0.0 110.559 175.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.91 -61.7 2.31 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.778 0.831 . . . . 0.0 110.476 176.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -49.02 -40.35 30.66 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 120.216 1.371 . . . . 0.0 112.686 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.42 -39.0 68.21 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 119.219 0.918 . . . . 0.0 112.809 177.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.47 ' HB1' ' CD2' ' A' ' 122' ' ' PHE . . . -53.25 -42.04 66.08 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 117.957 0.344 . . . . 0.0 110.973 168.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.44 ' HA3' ' CE1' ' A' ' 22' ' ' PHE . . . -80.31 -25.3 57.48 Favored Glycine 0 N--CA 1.468 0.799 0 CA-C-O 118.207 -1.33 . . . . 0.0 115.549 175.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -55.14 -44.22 74.88 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 119.686 1.743 . . . . 0.0 110.284 171.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.11 -40.49 74.87 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 176.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.407 HD11 ' CE1' ' A' ' 122' ' ' PHE . 74.8 mt -61.33 -42.53 98.83 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.742 0.701 . . . . 0.0 111.649 177.315 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.716 0 C-N-CA 125.798 1.639 . . . . 0.0 113.201 173.996 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 0 N--CA 1.476 0.841 0 CA-C-O 121.164 0.507 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.38 127.0 34.76 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.191 0.996 . . . . 0.0 110.114 175.756 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -136.48 36.98 2.7 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.388 1.475 . . . . 0.0 111.666 -173.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 48.99 34.64 5.73 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 125.313 1.445 . . . . 0.0 114.89 176.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -157.85 -46.33 0.01 OUTLIER Glycine 0 N--CA 1.474 1.213 0 C-N-CA 124.509 1.052 . . . . 0.0 113.663 -172.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.06 9.55 27.65 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.209 1.004 . . . . 0.0 112.578 163.328 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.37 -48.6 71.32 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.416 1.086 . . . . 0.0 111.423 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.3 p -71.77 -36.79 70.48 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 176.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.71 -51.43 62.46 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.861 0.864 . . . . 0.0 111.587 178.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -32.44 73.75 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-O 117.571 -1.204 . . . . 0.0 112.136 172.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.449 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . . . -64.72 -53.73 42.57 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 120.629 1.559 . . . . 0.0 113.182 177.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.95 -44.99 72.23 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 109.814 -1.315 . . . . 0.0 109.814 173.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.2 t -60.41 -44.61 95.56 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 174.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.47 ' CE1' HD13 ' A' ' 64' ' ' LEU . 1.2 m-85 -68.12 -42.57 80.02 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 121.017 1.735 . . . . 0.0 114.105 178.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.424 ' HB1' HD13 ' A' ' 30' ' ' LEU . . . -58.67 -55.31 36.68 Favored 'General case' 0 N--CA 1.439 -0.996 0 C-N-CA 125.069 1.348 . . . . 0.0 110.624 172.323 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -34.3 74.93 Favored 'General case' 0 C--O 1.211 -0.963 0 CA-C-O 117.967 -1.016 . . . . 0.0 112.392 173.486 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.11 -46.45 42.65 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 121.515 1.961 . . . . 0.0 111.717 -177.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.1 tt -65.06 -45.11 86.67 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.657 0.783 . . . . 0.0 109.897 173.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 35.1 p -68.14 -40.95 82.31 Favored 'General case' 0 C--O 1.222 -0.35 0 O-C-N 120.62 -1.3 . . . . 0.0 113.955 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.431 ' HA ' ' HB2' ' A' ' 131' ' ' GLU . . . -65.39 -39.85 92.75 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.582 1.553 . . . . 0.0 111.971 174.208 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 33.5 t -57.7 -54.07 51.0 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.574 0.75 . . . . 0.0 110.302 172.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.04 -26.54 68.6 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 172.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.431 ' HB2' ' HA ' ' A' ' 128' ' ' ALA . 0.9 OUTLIER -65.19 -48.72 72.45 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 121.358 1.89 . . . . 0.0 110.809 176.023 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 31.4 m -71.71 -41.74 68.2 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.971 0.908 . . . . 0.0 111.468 177.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -37.54 80.1 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 117.582 -1.199 . . . . 0.0 112.577 175.556 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.8 m -56.29 -35.12 67.13 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 121.374 1.897 . . . . 0.0 111.197 172.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -67.26 -25.33 66.01 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 173.207 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -97.55 -25.25 15.22 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.982 1.313 . . . . 0.0 113.45 177.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 29.3 tp60 -89.66 -33.34 16.67 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 127.378 2.271 . . . . 0.0 112.373 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.7 p -113.66 27.63 9.4 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.405 1.482 . . . . 0.0 112.091 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -6.44 0.18 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.096 1.359 . . . . 0.0 114.226 168.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -49.12 -26.45 2.76 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 120.346 -1.471 . . . . 0.0 113.322 167.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -64.88 -27.87 69.16 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.194 1.398 . . . . 0.0 114.53 170.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -69.86 -40.96 75.44 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.315 1.046 . . . . 0.0 112.168 177.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -86.63 -6.92 58.73 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.787 0.835 . . . . 0.0 113.205 175.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -76.52 -159.95 0.14 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 125.404 1.482 . . . . 0.0 112.183 169.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.4 t 68.05 -41.15 0.44 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 128.193 2.597 . . . . 0.0 114.66 -174.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -96.51 -34.34 11.51 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.378 1.471 . . . . 0.0 112.412 170.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.474 0.757 0 C-N-CA 124.329 1.052 . . . . 0.0 112.482 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.3 p90 . . . . . 0 CA--C 1.54 0.59 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.0 m -57.72 -27.48 62.99 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.265 1.426 . . . . 0.0 114.656 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.9 p -100.84 -32.2 10.79 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.695 0.798 . . . . 0.0 112.535 171.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.25 -43.6 97.55 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.724 1.147 . . . . 0.0 112.739 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.507 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 0.1 OUTLIER -62.69 -48.71 78.12 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 172.015 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.95 -24.68 67.59 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 121.208 -0.932 . . . . 0.0 113.026 -177.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -71.96 -44.19 63.95 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.339 1.456 . . . . 0.0 111.979 170.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.26 -30.6 68.76 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.243 -0.911 . . . . 0.0 112.813 173.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.419 ' HB1' ' HB2' ' A' ' 123' ' ' ALA . . . -56.51 -49.58 74.3 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.221 1.008 . . . . 0.0 111.082 166.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.1 m -56.15 -32.21 64.07 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 174.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -60.19 -35.06 74.53 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 120.161 1.346 . . . . 0.0 112.905 173.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.87 -35.91 16.27 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.224 1.01 . . . . 0.0 112.91 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.47 ' CD2' ' HB1' ' A' ' 93' ' ' ALA . 0.5 OUTLIER -62.41 -46.58 87.94 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.153 0.981 . . . . 0.0 111.756 173.712 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.93 -24.52 66.09 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.129 0.972 . . . . 0.0 113.193 175.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.26 -19.24 64.71 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.359 1.464 . . . . 0.0 113.0 170.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.27 70.66 1.47 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.315 1.446 . . . . 0.0 110.553 -176.71 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.0 p -50.05 -23.05 1.85 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.95 1.3 . . . . 0.0 114.281 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.99 -19.18 6.23 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 125.694 1.597 . . . . 0.0 114.9 169.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -39.91 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 O-C-N 120.659 -1.276 . . . . 0.0 112.413 167.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.4 t -68.88 -35.04 76.41 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.551 0.74 . . . . 0.0 110.432 176.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -34.66 70.87 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.267 -0.896 . . . . 0.0 113.273 171.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.43 -48.07 74.05 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.876 0.47 . . . . 0.0 111.933 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -34.65 78.94 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 118.49 0.586 . . . . 0.0 111.85 170.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.06 -23.31 65.36 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.807 -1.183 . . . . 0.0 113.76 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.86 -1.96 41.41 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.264 1.426 . . . . 0.0 114.025 171.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 65.7 t -136.81 94.51 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 126.822 2.049 . . . . 0.0 110.67 -168.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 t -102.29 38.13 1.74 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.019 1.328 . . . . 0.0 112.742 -173.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.42 140.28 26.19 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.598 1.559 . . . . 0.0 111.624 -176.003 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.34 -52.55 64.77 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.532 1.133 . . . . 0.0 113.339 -177.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.1 m -72.09 -26.44 62.15 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.206 1.002 . . . . 0.0 113.063 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.61 -34.58 60.59 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.017 -1.052 . . . . 0.0 111.917 172.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.94 -38.53 88.86 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.381 0.992 . . . . 0.0 111.306 172.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.6 p -66.86 -36.1 81.54 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.722 -0.611 . . . . 0.0 112.444 170.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.1 t -64.64 -40.01 94.71 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.228 1.011 . . . . 0.0 113.021 170.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.5 tt -56.95 -51.55 68.74 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.244 0.929 . . . . 0.0 109.375 169.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.11 -30.96 66.7 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 175.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.41 -54.69 21.38 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 120.887 -1.133 . . . . 0.0 111.862 171.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -71.18 -46.01 62.25 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.392 1.477 . . . . 0.0 112.4 -172.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.3 mm -71.41 -39.79 71.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 124.948 1.299 . . . . 0.0 110.644 174.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.38 -37.35 81.14 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-N 119.724 1.147 . . . . 0.0 112.455 175.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.37 -51.39 68.5 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.694 0.797 . . . . 0.0 111.95 170.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.9 t -69.23 -36.36 77.11 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.537 1.135 . . . . 0.0 113.156 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.31 -49.5 66.82 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.921 1.288 . . . . 0.0 111.402 178.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.79 91.37 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.148 0.579 . . . . 0.0 111.651 173.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -56.76 -44.37 81.72 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.813 0.845 . . . . 0.0 112.402 172.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.9 t -60.33 -35.1 74.86 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.329 1.452 . . . . 0.0 112.604 178.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.417 HD21 ' HA ' ' A' ' 122' ' ' PHE . 4.5 mm? -85.7 -10.52 55.52 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.835 1.254 . . . . 0.0 113.439 173.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.02 8.22 87.67 Favored Glycine 0 CA--C 1.543 1.808 0 C-N-CA 125.609 1.576 . . . . 0.0 114.6 -174.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.8 mm -70.24 109.27 2.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 126.716 2.006 . . . . 0.0 109.649 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.14 -10.78 53.72 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 m -68.31 8.37 0.46 Allowed 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 125.657 1.583 . . . . 0.0 113.485 170.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -39.47 -58.38 1.27 Allowed 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 121.063 1.756 . . . . 0.0 114.372 176.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.5 t -65.59 -40.85 93.15 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.9 -43.81 67.57 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.94 0.896 . . . . 0.0 112.548 -177.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.9 tp -64.86 -48.14 75.36 Favored 'General case' 0 C--O 1.216 -0.689 0 C-N-CA 125.809 1.643 . . . . 0.0 110.407 171.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.38 -41.68 72.97 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 120.557 1.526 . . . . 0.0 111.792 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -69.69 -1.21 29.54 Favored Glycine 0 CA--C 1.542 1.724 0 C-N-CA 126.406 1.955 . . . . 0.0 116.308 171.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -121.6 -27.55 4.72 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.282 1.833 . . . . 0.0 112.417 175.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.529 HD11 ' HA ' ' A' ' 96' ' ' ILE . 14.5 tp -74.28 -41.01 61.92 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 127.049 2.14 . . . . 0.0 110.4 176.333 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.66 -21.21 66.68 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 169.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -81.02 -39.15 26.3 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 120.863 -1.148 . . . . 0.0 111.602 172.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.36 -57.88 9.69 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 118.802 0.728 . . . . 0.0 111.344 169.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 56.4 t -67.69 -39.82 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 125.97 1.708 . . . . 0.0 112.467 -177.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.29 -27.29 73.48 Favored Glycine 0 CA--C 1.535 1.309 0 O-C-N 121.243 -0.911 . . . . 0.0 113.255 175.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -78.04 -3.72 85.15 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.968 1.27 . . . . 0.0 114.395 169.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.2 p -143.08 49.89 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.932 1.693 . . . . 0.0 110.364 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.82 124.68 8.24 Favored Glycine 0 CA--C 1.534 1.251 0 O-C-N 120.546 -1.346 . . . . 0.0 111.932 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 52.47 97.76 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 127.524 2.33 . . . . 0.0 115.134 -174.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 153.08 -27.64 0.8 Allowed Glycine 0 N--CA 1.471 0.978 0 C-N-CA 124.176 0.894 . . . . 0.0 113.897 172.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.99 -80.38 0.29 Allowed 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 118.356 -0.83 . . . . 0.0 111.441 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.7 t 153.66 162.46 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 129.342 3.057 . . . . 0.0 110.745 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.45 -27.87 1.91 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 117.409 -1.282 . . . . 0.0 113.57 163.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 38.3 m -59.19 -55.84 29.77 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 120.889 1.677 . . . . 0.0 111.834 169.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.62 -36.32 83.37 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.398 -0.814 . . . . 0.0 112.397 176.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -66.16 -53.0 42.89 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 119.328 0.967 . . . . 0.0 109.918 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.47 ' HB1' ' CD2' ' A' ' 30' ' ' LEU . . . -56.17 -48.36 76.49 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 125.262 1.425 . . . . 0.0 113.058 174.281 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.48 -49.92 73.46 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 118.056 -0.974 . . . . 0.0 110.231 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.99 -36.12 82.94 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 120.087 1.312 . . . . 0.0 112.89 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.529 ' HA ' HD11 ' A' ' 76' ' ' LEU . 36.7 mt -63.29 -54.07 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.078 1.351 . . . . 0.0 109.939 175.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.73 -52.41 65.23 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.024 0.529 . . . . 0.0 110.946 175.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 18.3 mtt-85 -48.0 -54.59 12.42 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.519 1.528 . . . . 0.0 111.338 175.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.42 -35.81 82.06 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.468 1.031 . . . . 0.0 113.373 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.98 -54.64 36.25 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.089 0.956 . . . . 0.0 111.209 173.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.507 ' HA3' ' CZ ' ' A' ' 22' ' ' PHE . . . -85.49 -18.66 59.92 Favored Glycine 0 CA--C 1.536 1.387 0 CA-C-O 118.307 -1.274 . . . . 0.0 115.322 -179.468 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -53.93 -44.63 70.78 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.401 2.101 . . . . 0.0 110.171 163.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -65.01 -42.3 94.58 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 122.105 -0.372 . . . . 0.0 111.859 175.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 66.9 mt -62.75 -39.04 92.92 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.593 -0.692 . . . . 0.0 112.716 178.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.636 0 C-N-CA 124.893 1.277 . . . . 0.0 112.805 172.67 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.4 t . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.657 0.265 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.89 117.95 30.99 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.35 1.06 . . . . 0.0 109.833 -177.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -129.4 28.53 5.2 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.807 1.643 . . . . 0.0 112.263 -169.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 56.74 26.74 11.76 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -147.58 -42.45 0.04 OUTLIER Glycine 0 N--CA 1.476 1.306 0 C-N-CA 124.784 1.183 . . . . 0.0 113.358 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.82 8.88 37.6 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.536 1.134 . . . . 0.0 112.706 165.581 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.92 -56.8 17.26 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.081 0.855 . . . . 0.0 111.245 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.4 m -62.38 -35.53 79.47 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 177.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.74 -54.21 30.32 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.822 0.849 . . . . 0.0 111.564 178.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.23 -31.78 70.58 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.515 178.198 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.05 -47.97 69.72 Favored 'General case' 0 C--O 1.224 -0.243 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 175.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.37 -46.0 64.77 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 171.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 39.8 m -64.6 -42.46 95.55 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 172.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' PHE . . . . . 0.417 ' HA ' HD21 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -67.05 -43.25 83.17 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 121.635 2.016 . . . . 0.0 111.141 -179.612 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.419 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . . . -60.89 -58.49 8.21 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.32 1.448 . . . . 0.0 111.181 173.237 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.08 -34.02 67.88 Favored 'General case' 0 C--O 1.21 -1.025 0 CA-C-O 116.952 -1.499 . . . . 0.0 111.693 174.134 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.95 -39.82 63.49 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 121.302 1.864 . . . . 0.0 112.639 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.0 tt -68.1 -41.52 81.68 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.742 1.155 . . . . 0.0 110.006 174.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 68.2 m -60.5 -52.05 66.83 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.264 1.026 . . . . 0.0 113.32 169.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.62 -40.98 89.05 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 126.005 1.722 . . . . 0.0 110.883 -177.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 56.7 m -64.33 -42.32 96.35 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.986 170.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.73 -45.1 87.93 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 120.982 1.719 . . . . 0.0 113.719 177.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.05 -29.54 60.77 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.193 -0.942 . . . . 0.0 112.773 176.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 67.8 m -79.06 -17.03 55.95 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.085 -1.009 . . . . 0.0 113.256 168.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -65.6 -23.02 66.73 Favored 'General case' 0 C--O 1.22 -0.496 0 O-C-N 120.258 -1.526 . . . . 0.0 110.908 169.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.6 t -54.03 -38.09 64.79 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 120.81 1.641 . . . . 0.0 112.478 163.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -67.57 -28.7 68.0 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.061 -1.65 . . . . 0.0 113.985 172.021 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -96.02 -18.98 19.82 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -106.83 -34.4 7.26 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 127.751 2.42 . . . . 0.0 111.649 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.52 30.9 5.02 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 126.096 1.758 . . . . 0.0 110.567 174.178 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -57.58 -7.44 0.65 Allowed 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.069 -1.019 . . . . 0.0 113.219 174.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -44.59 -26.95 0.42 Allowed 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 170.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -97.43 -43.58 7.22 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.608 1.095 . . . . 0.0 113.284 170.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -25.79 66.28 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.232 1.013 . . . . 0.0 112.644 -178.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -67.9 -33.48 74.79 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.277 1.431 . . . . 0.0 112.87 176.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -75.58 33.66 0.11 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.43 1.492 . . . . 0.0 113.09 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.3 t -158.34 -44.99 0.06 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.932 2.093 . . . . 0.0 110.939 175.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -96.4 -31.16 12.98 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 3.2 t80 . . . . . 0 N--CA 1.474 0.752 0 C-N-CA 125.003 1.321 . . . . 0.0 111.537 -177.896 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.4 p90 . . . . . 0 CA--C 1.536 0.435 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.8 p -58.49 -38.77 78.35 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.495 1.043 . . . . 0.0 112.675 -175.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.3 m -87.18 -36.38 18.05 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.948 0.899 . . . . 0.0 113.311 171.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.17 -34.7 79.0 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.532 1.06 . . . . 0.0 112.925 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -54.56 -57.73 10.27 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.602 1.161 . . . . 0.0 110.161 163.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.36 -18.24 63.46 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -177.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -79.48 -42.61 24.9 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.467 1.507 . . . . 0.0 112.996 169.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.59 -19.61 60.25 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.429 1.092 . . . . 0.0 113.848 174.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.49 -46.2 76.96 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 120.275 -1.516 . . . . 0.0 111.29 164.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.27 -28.42 53.28 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.117 1.367 . . . . 0.0 114.554 173.278 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.9 m -59.56 -31.28 69.29 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.57 1.077 . . . . 0.0 113.625 175.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.64 -29.3 10.2 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.155 0.982 . . . . 0.0 113.069 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.644 HD23 ' HB1' ' A' ' 123' ' ' ALA . 0.2 OUTLIER -61.33 -43.7 98.43 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.014 1.326 . . . . 0.0 113.319 170.295 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.42 -25.12 66.61 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 172.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.91 -16.74 62.69 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.777 1.631 . . . . 0.0 113.596 170.107 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.8 m -126.21 69.99 1.23 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.005 1.722 . . . . 0.0 112.08 -172.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.6 t -52.89 -25.12 10.71 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 -178.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.92 -16.13 16.2 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 170.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.603 HG21 HD13 ' A' ' 30' ' ' LEU . 0.8 OUTLIER -61.46 -34.44 61.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 120.546 1.521 . . . . 0.0 112.26 166.072 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.1 m -67.65 -33.33 74.74 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 120.743 -1.223 . . . . 0.0 111.232 173.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -66.36 -24.67 66.54 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 120.652 -1.28 . . . . 0.0 113.207 171.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.418 ' HB2' ' HB1' ' A' ' 130' ' ' ALA . . . -58.78 -51.62 69.2 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.718 0.807 . . . . 0.0 112.252 172.358 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.579 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 3.8 p90 -71.84 -35.28 69.83 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.778 0.717 . . . . 0.0 112.799 173.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.91 -25.93 68.55 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 119.502 1.046 . . . . 0.0 112.829 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.3 t -62.04 -22.17 65.52 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.719 1.608 . . . . 0.0 114.199 169.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.3 p -143.15 91.42 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.302 1.441 . . . . 0.0 112.523 -168.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 t -80.33 38.58 0.43 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.976 1.71 . . . . 0.0 114.397 -176.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m -145.67 128.93 16.75 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.787 1.635 . . . . 0.0 111.727 -175.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.45 -47.03 87.04 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.471 1.108 . . . . 0.0 113.797 -177.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.7 m -66.09 -37.19 85.16 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.789 0.836 . . . . 0.0 112.51 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.07 -25.58 47.73 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 176.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.67 -33.26 75.47 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 120.906 -1.121 . . . . 0.0 111.997 165.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -43.87 87.51 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.143 -0.973 . . . . 0.0 111.769 165.617 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.4 m -63.05 -38.43 91.16 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 172.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.1 tp -57.97 -52.73 64.29 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.468 1.031 . . . . 0.0 110.945 171.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.61 -38.4 84.57 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 119.298 0.954 . . . . 0.0 112.958 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -57.79 -48.56 79.35 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 119.26 0.937 . . . . 0.0 111.598 169.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.73 -54.61 32.68 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.376 1.07 . . . . 0.0 112.864 -178.075 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.6 mm -78.09 -32.59 17.36 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 124.022 0.929 . . . . 0.0 111.158 -176.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.38 -37.38 94.73 Favored Glycine 0 N--CA 1.469 0.882 0 C-N-CA 124.133 0.873 . . . . 0.0 113.884 175.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 tp -55.14 -47.39 75.15 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.372 0.669 . . . . 0.0 111.149 170.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.2 t -73.67 -34.57 64.97 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.766 1.226 . . . . 0.0 113.972 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.27 -53.19 52.96 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.095 0.862 . . . . 0.0 112.2 176.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.89 -49.12 74.29 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 124.544 1.138 . . . . 0.0 110.381 171.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -59.03 -41.68 88.36 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.957 1.253 . . . . 0.0 114.026 175.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.1 t -62.03 -36.76 82.56 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.167 1.387 . . . . 0.0 112.533 176.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.45 -9.25 59.76 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.675 1.19 . . . . 0.0 113.893 171.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.89 10.27 72.61 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.796 1.665 . . . . 0.0 114.826 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.5 mm -84.78 107.5 15.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 125.572 1.549 . . . . 0.0 110.291 -173.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.0 -8.86 17.7 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.6 p -68.26 -0.41 4.71 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.676 1.362 . . . . 0.0 114.676 169.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -31.62 -56.22 0.27 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.791 2.036 . . . . 0.0 114.49 177.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.3 t -60.44 -43.72 96.54 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.745 2.018 . . . . 0.0 114.41 175.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.57 -44.96 63.56 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.167 1.387 . . . . 0.0 111.791 178.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.3 tp -64.7 -43.22 94.18 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 124.291 1.036 . . . . 0.0 111.129 175.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.06 -28.45 62.58 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 120.288 1.404 . . . . 0.0 113.094 174.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -83.55 3.34 85.37 Favored Glycine 0 CA--C 1.542 1.742 0 C-N-CA 125.921 1.724 . . . . 0.0 116.084 171.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.51 -28.78 3.0 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.124 1.769 . . . . 0.0 112.995 177.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.675 HD12 ' HB3' ' A' ' 99' ' ' ALA . 12.0 tp -69.54 -41.52 75.84 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 126.734 2.013 . . . . 0.0 111.207 173.278 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.57 -37.16 70.18 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.475 1.11 . . . . 0.0 113.184 168.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -70.61 -24.34 62.72 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 174.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.94 -54.73 4.85 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.264 -0.897 . . . . 0.0 111.933 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.74 -33.98 67.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 121.233 -0.917 . . . . 0.0 112.066 174.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -82.24 -22.11 59.5 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.001 0.81 . . . . 0.0 114.248 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.7 -25.94 72.95 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 123.856 0.741 . . . . 0.0 113.511 171.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.8 t -134.76 31.3 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 125.647 1.579 . . . . 0.0 111.32 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.91 137.93 29.12 Favored Glycine 0 CA--C 1.534 1.246 0 O-C-N 120.804 -1.185 . . . . 0.0 111.619 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 43.05 77.31 0.06 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.402 1.881 . . . . 0.0 115.3 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -172.45 -33.45 0.03 OUTLIER Glycine 0 CA--C 1.534 1.222 0 N-CA-C 115.4 0.92 . . . . 0.0 115.4 173.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -98.31 -70.38 0.73 Allowed 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.696 1.248 . . . . 0.0 111.756 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.0 t 157.19 179.48 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 129.586 3.154 . . . . 0.0 110.667 -177.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.579 ' HB2' ' HE2' ' A' ' 40' ' ' PHE . . . -40.45 -36.49 0.57 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 127.483 2.313 . . . . 0.0 113.964 161.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.3 t -53.46 -55.24 26.92 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 124.32 1.048 . . . . 0.0 111.469 173.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.7 -43.08 94.62 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 119.371 0.987 . . . . 0.0 112.548 176.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -62.75 -50.03 72.67 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 119.558 1.072 . . . . 0.0 110.238 -178.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.3 86.7 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.729 1.212 . . . . 0.0 113.528 174.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -64.4 -42.31 96.16 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 118.782 0.719 . . . . 0.0 111.363 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.61 -41.88 75.11 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.431 1.092 . . . . 0.0 112.225 177.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 42.4 mt -58.8 -51.08 76.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 124.088 0.955 . . . . 0.0 110.612 171.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.16 -35.36 80.86 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.964 0.905 . . . . 0.0 113.011 177.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -62.69 -52.85 61.67 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-O 117.373 -1.299 . . . . 0.0 111.643 171.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.675 ' HB3' HD12 ' A' ' 76' ' ' LEU . . . -68.94 -37.44 78.87 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 121.002 1.728 . . . . 0.0 113.274 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -51.78 -57.92 7.92 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.525 0.73 . . . . 0.0 110.215 164.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.08 -43.45 83.34 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 125.047 1.308 . . . . 0.0 113.073 176.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -56.98 -41.87 79.19 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.748 1.774 . . . . 0.0 112.136 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -67.63 -48.89 65.45 Favored 'General case' 0 C--N 1.34 0.193 0 CA-C-N 118.674 0.67 . . . . 0.0 111.623 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 38.9 mt -66.18 -37.14 84.91 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 120.915 -1.116 . . . . 0.0 112.17 -176.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.728 0 C-N-CA 128.512 2.725 . . . . 0.0 115.104 172.751 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.2 t . . . . . 0 N--CA 1.477 0.897 0 CA-C-O 120.857 0.361 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.76 136.48 32.94 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.826 1.651 . . . . 0.0 111.392 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -139.7 36.59 2.0 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 124.328 1.051 . . . . 0.0 113.318 -170.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 52.91 32.19 12.14 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 116.305 1.965 . . . . 0.0 116.305 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -161.21 -37.06 0.02 OUTLIER Glycine 0 N--CA 1.482 1.731 0 CA-C-N 116.538 -0.301 . . . . 0.0 113.771 175.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -86.71 14.46 7.02 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 121.238 -1.154 . . . . 0.0 113.687 167.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.24 -53.35 59.12 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.657 1.183 . . . . 0.0 112.442 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 44.5 p -69.19 -36.78 77.66 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.7 -54.07 49.68 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.006 0.922 . . . . 0.0 111.784 175.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.7 mp -66.83 -32.73 74.2 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 117.875 -1.06 . . . . 0.0 112.34 175.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.17 -51.11 69.15 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 119.98 1.264 . . . . 0.0 113.449 175.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.35 -48.49 59.68 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 173.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 75.7 m -64.21 -44.37 92.13 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -67.17 -47.8 69.89 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 120.143 1.338 . . . . 0.0 111.059 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.644 ' HB1' HD23 ' A' ' 30' ' ' LEU . . . -62.77 -45.82 90.92 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.715 1.206 . . . . 0.0 110.598 177.599 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.54 -23.81 61.83 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 175.003 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.24 -38.27 75.14 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 120.513 1.506 . . . . 0.0 111.066 169.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.3 -44.03 89.23 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 118.945 -0.55 . . . . 0.0 111.504 170.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.8 p -63.91 -38.06 89.69 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 118.167 -0.921 . . . . 0.0 113.165 172.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.03 -44.01 70.11 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.481 1.512 . . . . 0.0 112.252 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 41.4 t -63.42 -47.22 82.85 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 121.858 -0.526 . . . . 0.0 110.452 171.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.418 ' HB1' ' HB2' ' A' ' 39' ' ' ALA . . . -60.67 -38.3 84.46 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 175.471 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -57.23 -45.73 83.62 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.821 1.649 . . . . 0.0 111.987 174.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 67.1 m -71.67 -43.84 65.32 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.057 0.543 . . . . 0.0 111.568 173.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -66.03 -17.8 64.92 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 120.782 -1.199 . . . . 0.0 113.536 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 39.7 m -57.56 -21.46 38.68 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 120.575 1.534 . . . . 0.0 113.653 164.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -80.55 -34.0 35.79 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 119.688 1.131 . . . . 0.0 113.182 169.037 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -88.99 -38.8 14.16 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.732 1.213 . . . . 0.0 113.576 -174.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -86.63 -25.41 24.9 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.753 2.021 . . . . 0.0 112.214 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.57 33.71 5.32 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.444 1.498 . . . . 0.0 111.55 175.502 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -1.99 0.31 Allowed 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 170.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -50.03 -33.03 16.88 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 120.49 -1.381 . . . . 0.0 112.922 166.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -67.09 -20.9 65.88 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 173.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -72.98 -43.67 61.96 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.514 1.126 . . . . 0.0 111.663 174.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -85.4 -7.86 58.72 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.955 1.302 . . . . 0.0 113.889 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.33 -171.88 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.338 1.455 . . . . 0.0 113.057 171.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.9 t 69.17 -37.69 0.38 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 127.092 2.157 . . . . 0.0 113.832 -168.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -99.35 -40.97 7.64 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.502 1.121 . . . . 0.0 112.623 170.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 N--CA 1.476 0.843 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 176.061 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.7 m . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.29 68.42 1.63 Allowed Glycine 0 CA--C 1.538 1.489 0 C-N-CA 123.959 0.79 . . . . 0.0 114.387 174.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.08 95.26 2.92 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.652 1.181 . . . . 0.0 111.908 -177.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.5 t -154.9 40.79 0.44 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.951 1.3 . . . . 0.0 112.282 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.3 m -61.37 101.9 0.2 Allowed 'General case' 0 N--CA 1.475 0.805 0 O-C-N 120.421 -1.424 . . . . 0.0 111.335 171.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -59.87 -40.74 89.69 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.819 0.848 . . . . 0.0 111.347 177.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 50.65 54.6 10.89 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.555 1.942 . . . . 0.0 113.643 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 60.37 169.67 0.09 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 127.348 2.259 . . . . 0.0 114.034 -167.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.9 m -68.86 -37.91 79.4 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 120.211 -1.555 . . . . 0.0 113.097 -179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -102.86 133.81 47.33 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.879 1.672 . . . . 0.0 109.263 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.5 t -61.17 -42.58 98.82 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -172.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -145.94 -32.43 0.35 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.578 1.151 . . . . 0.0 113.862 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 48.66 58.77 4.92 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.48 1.912 . . . . 0.0 115.734 174.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.96 -50.76 0.14 Allowed 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 116.114 1.894 . . . . 0.0 116.114 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.64 35.44 4.2 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 123.528 1.632 . . . . 0.0 112.496 -173.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -68.24 -17.45 64.31 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.26 1.824 . . . . 0.0 115.076 -178.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.3 p -72.65 -40.14 66.59 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.758 1.163 . . . . 0.0 113.075 -176.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.6 t -74.68 -40.11 61.59 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.071 0.948 . . . . 0.0 111.406 172.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.1 79.91 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 121.392 -0.818 . . . . 0.0 113.206 176.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.599 ' CD2' ' HB2' ' A' ' 119' ' ' ALA . 14.6 t80 -52.34 -59.37 4.49 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.871 1.268 . . . . 0.0 109.641 163.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.62 -18.23 58.58 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -176.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -73.15 -45.54 56.12 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.42 1.088 . . . . 0.0 113.126 169.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.57 -23.16 56.51 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.113 -0.992 . . . . 0.0 113.091 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.98 -49.62 59.86 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.02 0.528 . . . . 0.0 111.401 161.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.6 t -57.47 -30.14 64.82 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 175.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.2 t -59.37 -41.11 88.55 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.166 -0.959 . . . . 0.0 112.737 175.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.09 -35.23 23.87 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 174.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.83 -39.91 86.69 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.447 -0.783 . . . . 0.0 112.168 176.245 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.0 -24.74 67.59 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.345 1.458 . . . . 0.0 113.728 173.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.91 -10.84 59.75 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.59 1.556 . . . . 0.0 112.677 171.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.8 m -133.94 58.3 1.77 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.31 1.444 . . . . 0.0 112.637 -168.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.68 -26.06 8.44 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -177.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.95 -15.64 9.53 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 172.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -40.66 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 O-C-N 120.274 -1.516 . . . . 0.0 112.915 169.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.9 m -65.91 -30.26 70.82 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.182 -0.948 . . . . 0.0 110.406 175.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -36.41 82.62 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.129 1.372 . . . . 0.0 112.416 170.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.33 -41.02 92.67 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.422 1.01 . . . . 0.0 111.962 171.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -69.96 -34.16 73.03 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 171.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.12 -24.89 65.03 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 119.291 0.95 . . . . 0.0 113.323 172.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.5 m -75.1 -15.76 60.59 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 174.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.6 m -133.21 108.35 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 124.804 1.242 . . . . 0.0 112.207 -176.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.0 p -100.91 31.76 3.45 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.936 1.694 . . . . 0.0 113.665 -171.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.4 m -136.04 128.44 30.29 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.471 1.508 . . . . 0.0 111.523 -176.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.34 -52.43 61.59 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.069 1.348 . . . . 0.0 112.653 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.1 m -66.55 -35.03 79.22 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.026 0.93 . . . . 0.0 112.822 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.73 -31.5 68.36 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.577 -0.702 . . . . 0.0 112.337 175.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.07 -36.57 83.57 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.391 -0.818 . . . . 0.0 111.962 169.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.3 m -58.98 -42.48 90.06 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.021 0.828 . . . . 0.0 111.881 168.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.8 m -64.65 -38.35 90.69 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 118.671 -0.68 . . . . 0.0 112.812 171.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.9 tt -61.89 -46.35 89.78 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.567 1.076 . . . . 0.0 110.623 173.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.07 -47.2 78.42 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 119.727 1.149 . . . . 0.0 112.005 171.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -63.06 -47.4 83.09 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 119.663 1.119 . . . . 0.0 112.559 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -63.09 -57.19 11.44 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.612 1.965 . . . . 0.0 112.821 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.8 mm -71.11 -33.7 52.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 C-N-CA 124.353 1.061 . . . . 0.0 110.631 -177.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.51 -56.73 18.44 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.696 1.141 . . . . 0.0 111.828 168.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.5 -25.95 66.47 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 118.778 1.289 . . . . 0.0 114.06 177.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.5 t -75.45 -49.96 17.26 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.656 -0.653 . . . . 0.0 111.463 173.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.71 -35.97 75.59 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.895 1.278 . . . . 0.0 112.652 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.06 -47.81 3.19 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.262 1.825 . . . . 0.0 112.452 171.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.5 ttt-85 -82.63 -28.13 30.97 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.732 1.613 . . . . 0.0 112.59 -177.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.6 m -65.29 -35.67 81.72 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.584 1.154 . . . . 0.0 113.079 169.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.44 HD21 ' HA ' ' A' ' 122' ' ' PHE . 3.1 mm? -88.53 -26.72 21.86 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.122 0.969 . . . . 0.0 112.928 173.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.39 -18.27 38.86 Favored Glycine 0 CA--C 1.541 1.658 0 C-N-CA 126.336 1.922 . . . . 0.0 114.316 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.461 ' H ' HD12 ' A' ' 66' ' ' ILE . 4.5 mp -77.62 76.35 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 126.905 2.082 . . . . 0.0 110.375 177.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.13 -6.8 2.18 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 173.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.9 18.73 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 126.931 2.092 . . . . 0.0 114.909 174.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -13.33 10.5 Favored 'General case' 0 C--O 1.221 -0.4 0 O-C-N 120.491 -1.38 . . . . 0.0 114.424 176.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.9 t -46.09 -40.59 11.1 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.847 1.203 . . . . 0.0 113.508 170.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.69 -38.14 16.1 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.861 0.864 . . . . 0.0 112.558 173.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.434 HD11 ' HA ' ' A' ' 100' ' ' ALA . 5.0 tp -59.68 -57.91 10.87 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-N 118.532 0.606 . . . . 0.0 111.466 178.087 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.25 -40.89 71.45 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 127.019 2.128 . . . . 0.0 112.059 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -64.6 -10.86 46.2 Favored Glycine 0 CA--C 1.541 1.714 0 C-N-CA 125.373 1.463 . . . . 0.0 115.233 172.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -115.07 -27.28 7.39 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.951 1.7 . . . . 0.0 112.446 173.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.0 tp -70.5 -41.89 72.03 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 127.365 2.266 . . . . 0.0 110.579 177.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.89 -37.95 74.9 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.839 1.256 . . . . 0.0 111.991 168.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -76.31 -27.32 56.52 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.385 1.074 . . . . 0.0 112.579 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.41 -56.7 4.45 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.008 0.923 . . . . 0.0 111.121 175.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.0 p -65.02 -37.58 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.561 0.744 . . . . 0.0 112.026 177.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -80.11 -28.41 49.61 Favored Glycine 0 CA--C 1.531 1.031 0 C-N-CA 124.907 1.241 . . . . 0.0 113.45 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.67 -22.46 56.96 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 124.972 1.272 . . . . 0.0 113.897 172.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 t -129.36 31.28 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.99 1.716 . . . . 0.0 110.144 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.31 109.77 3.08 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 124.541 1.067 . . . . 0.0 111.72 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 60.53 88.21 0.08 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 127.484 2.314 . . . . 0.0 114.029 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 175.35 -29.66 0.08 OUTLIER Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.613 1.101 . . . . 0.0 114.221 176.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -102.12 -87.42 0.4 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.402 1.081 . . . . 0.0 111.197 176.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.2 t 174.01 173.29 0.18 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 127.163 2.185 . . . . 0.0 110.475 -176.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.07 -24.7 0.69 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.449 1.099 . . . . 0.0 113.452 160.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.83 -49.49 76.1 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 120.154 1.343 . . . . 0.0 112.352 171.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.08 -38.12 85.2 Favored 'General case' 0 C--O 1.224 -0.246 0 O-C-N 121.23 -0.919 . . . . 0.0 111.863 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -63.41 -48.44 77.81 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 119.555 1.07 . . . . 0.0 110.334 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.3 -40.1 86.02 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.92 1.288 . . . . 0.0 113.25 177.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -68.31 -41.91 80.2 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 119.556 1.071 . . . . 0.0 111.044 175.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.92 88.6 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.567 0.747 . . . . 0.0 111.707 175.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.0 mt -64.06 -49.69 80.39 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 CA-C-O 118.535 -0.745 . . . . 0.0 111.007 172.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.82 -41.05 79.14 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 120.392 1.451 . . . . 0.0 113.21 -178.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -63.89 -40.28 96.14 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 117.916 -1.04 . . . . 0.0 111.35 174.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -82.93 -32.82 27.01 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.815 1.189 . . . . 0.0 113.111 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.434 ' HA ' HD11 ' A' ' 72' ' ' LEU . . . -52.9 -46.05 67.84 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.681 1.192 . . . . 0.0 110.395 162.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -71.09 -38.27 63.71 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-O 117.835 -1.536 . . . . 0.0 113.844 176.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -54.71 -42.91 72.08 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 120.538 2.169 . . . . 0.0 112.459 -177.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -75.95 -43.71 43.5 Favored 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 174.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.6 tp -61.75 -39.1 90.42 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 120.676 -1.265 . . . . 0.0 111.74 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.9 -0.1 1.0 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 128.961 2.904 . . . . 0.0 115.06 170.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.1 t -57.23 -17.18 10.4 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 121.114 -0.991 . . . . 0.0 112.782 161.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 98.15 0.57 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 130.313 3.445 . . . . 0.0 111.474 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.93 -29.36 75.15 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.932 1.253 . . . . 0.0 114.037 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -137.57 -28.49 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.874 1.269 . . . . 0.0 111.781 177.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.06 128.63 34.13 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.281 1.032 . . . . 0.0 111.246 175.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -139.79 34.42 1.99 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.59 1.156 . . . . 0.0 112.133 -174.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 44.23 48.91 7.84 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.786 2.034 . . . . 0.0 114.537 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -171.9 -35.99 0.03 OUTLIER Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.087 1.327 . . . . 0.0 112.834 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -108.43 12.83 25.95 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.731 1.612 . . . . 0.0 112.359 168.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.29 -52.55 64.89 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.184 0.902 . . . . 0.0 110.328 175.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 69.5 m -63.59 -38.09 89.81 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.55 -49.65 68.09 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.559 0.744 . . . . 0.0 111.824 177.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.8 mp -63.43 -35.71 81.34 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 117.665 -1.159 . . . . 0.0 111.488 173.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.599 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . . . -65.88 -47.38 75.06 Favored 'General case' 0 N--CA 1.457 -0.103 0 CA-C-N 119.758 1.163 . . . . 0.0 112.638 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -56.13 -49.98 64.52 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 174.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.7 m -59.12 -43.5 91.95 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 173.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.44 ' HA ' HD21 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -61.16 -49.86 75.52 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 120.1 1.318 . . . . 0.0 110.653 177.667 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.49 -48.04 82.87 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 124.053 0.941 . . . . 0.0 110.661 -177.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.77 -31.1 71.27 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 118.411 -0.804 . . . . 0.0 112.981 172.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -81.56 -43.98 17.94 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.867 1.212 . . . . 0.0 112.487 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.417 HD13 ' HE1' ' A' ' 122' ' ' PHE . 4.0 tt -67.86 -39.13 83.79 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.883 1.273 . . . . 0.0 109.934 173.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.9 p -66.31 -48.36 70.61 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 117.285 -1.34 . . . . 0.0 111.986 169.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -56.51 -39.55 73.51 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 121.687 2.039 . . . . 0.0 111.619 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 40.7 t -59.9 -54.17 49.32 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 117.928 -1.034 . . . . 0.0 111.749 169.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.49 -45.1 85.27 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 120.886 1.675 . . . . 0.0 113.907 177.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -62.01 -44.59 96.39 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.308 2.243 . . . . 0.0 111.925 178.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 72.7 m -76.85 -28.28 55.41 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.908 0.883 . . . . 0.0 112.44 174.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -70.84 -17.51 62.74 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-O 116.943 -1.503 . . . . 0.0 112.237 171.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 56.7 m -54.72 -32.96 60.42 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 122.246 2.294 . . . . 0.0 112.39 164.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.79 -24.37 61.73 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.897 1.279 . . . . 0.0 114.05 173.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -106.5 -13.09 15.43 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.917 1.687 . . . . 0.0 113.907 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -81.99 -35.88 28.48 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.644 2.378 . . . . 0.0 110.669 171.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.67 21.34 17.07 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.939 1.296 . . . . 0.0 112.122 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.96 15.37 0.16 Allowed 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 174.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -53.89 -24.95 17.77 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.32 1.448 . . . . 0.0 113.359 173.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -80.69 -37.23 31.14 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.286 1.434 . . . . 0.0 113.277 171.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -72.02 -39.23 69.32 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.862 0.755 . . . . 0.0 111.881 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.99 -34.72 78.14 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 121.426 -0.797 . . . . 0.0 112.155 174.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -71.35 28.94 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 126.218 1.807 . . . . 0.0 114.153 173.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.66 -39.75 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 127.128 2.171 . . . . 0.0 111.715 170.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.99 -40.82 12.1 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -82.39 -35.66 27.5 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.809 0.843 . . . . 0.0 112.011 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -60.67 -33.54 72.98 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.133 0.879 . . . . 0.0 112.913 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -76.54 -25.58 54.25 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.684 1.194 . . . . 0.0 112.598 173.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -87.98 5.14 42.23 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.264 1.425 . . . . 0.0 113.585 174.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -69.13 25.07 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 126.437 1.895 . . . . 0.0 114.609 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -105.22 15.69 26.99 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 127.467 2.307 . . . . 0.0 112.253 176.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -124.49 40.13 3.81 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.729 2.411 . . . . 0.0 110.495 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 29.9 m -50.98 103.4 0.06 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.724 2.01 . . . . 0.0 112.48 175.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -119.2 -34.9 3.73 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.691 1.196 . . . . 0.0 113.501 -172.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -143.85 -41.12 0.28 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.858 1.263 . . . . 0.0 112.593 175.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -148.82 -62.87 0.24 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.165 0.586 . . . . 0.0 112.182 177.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 19.6 p -175.22 -55.51 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 125.344 1.458 . . . . 0.0 112.354 172.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -154.52 125.06 6.97 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.205 1.802 . . . . 0.0 110.092 -175.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 47.5 m 59.88 137.13 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.222 2.209 . . . . 0.0 114.379 -169.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.88 152.3 33.48 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.158 1.383 . . . . 0.0 111.665 177.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.202 0 C-N-CA 128.148 2.579 . . . . 0.0 115.241 -178.776 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.2 p . . . . . 0 N--CA 1.474 0.754 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.24 151.46 10.89 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 125.904 1.716 . . . . 0.0 114.281 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -156.61 144.84 19.65 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.324 1.45 . . . . 0.0 110.385 175.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.7 t -174.58 -37.0 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.072 1.349 . . . . 0.0 112.075 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.3 p -109.84 128.01 55.05 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.014 1.326 . . . . 0.0 111.883 179.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -140.94 69.57 1.34 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.009 1.724 . . . . 0.0 110.018 -175.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 63.94 115.9 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 128.486 2.714 . . . . 0.0 115.013 -176.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.1 83.83 1.8 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.319 1.447 . . . . 0.0 113.017 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.9 m -137.1 141.49 42.32 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.58 1.552 . . . . 0.0 110.279 176.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 49.06 61.53 3.08 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.604 1.562 . . . . 0.0 114.182 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 t -72.13 25.03 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 125.641 1.576 . . . . 0.0 114.847 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 46.93 50.02 14.1 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.056 2.142 . . . . 0.0 114.126 -172.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.8 t -51.75 -30.12 21.42 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.737 1.615 . . . . 0.0 113.688 178.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.5 t 70.08 -39.4 0.44 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 128.134 2.573 . . . . 0.0 116.09 168.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.5 t -129.1 44.48 2.96 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 126.312 1.845 . . . . 0.0 109.518 174.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -53.07 -25.89 14.26 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.613 1.565 . . . . 0.0 114.195 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.1 p -64.39 -38.71 91.98 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.171 1.389 . . . . 0.0 113.091 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 t -83.53 -37.71 22.68 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.018 0.927 . . . . 0.0 111.706 176.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.62 -35.17 79.62 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.479 -0.763 . . . . 0.0 112.514 173.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.443 ' CE2' ' HA ' ' A' ' 119' ' ' ALA . 4.2 t80 -54.43 -59.45 4.66 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.208 1.003 . . . . 0.0 109.824 164.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.22 -18.73 63.84 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 120.759 -1.213 . . . . 0.0 113.682 -176.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -76.1 -52.32 10.38 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.561 1.144 . . . . 0.0 112.533 169.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.71 -27.42 68.32 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.83 0.852 . . . . 0.0 112.99 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.435 ' HB1' ' HB2' ' A' ' 123' ' ' ALA . . . -51.67 -41.75 61.62 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.987 1.315 . . . . 0.0 111.763 168.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.2 t -56.32 -30.16 62.2 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 176.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.4 t -57.42 -40.25 77.94 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.243 -0.91 . . . . 0.0 112.385 175.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.97 -33.32 15.61 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.822 0.849 . . . . 0.0 112.752 177.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.12 -41.82 89.13 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.859 0.864 . . . . 0.0 111.276 174.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.13 -25.85 64.59 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.82 1.248 . . . . 0.0 114.023 173.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.33 -16.14 62.96 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.977 1.311 . . . . 0.0 113.154 173.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.3 m -125.39 66.51 1.15 Allowed 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.162 1.385 . . . . 0.0 111.848 -171.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 76.5 p -49.74 -28.94 6.78 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.76 -15.97 55.74 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 173.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 tt -63.95 -36.81 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 120.295 1.407 . . . . 0.0 111.631 171.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.7 m -69.09 -31.09 69.57 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.148 -0.97 . . . . 0.0 111.075 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.34 -31.9 73.18 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.753 0.821 . . . . 0.0 112.853 170.231 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.02 -50.26 73.28 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.65 0.659 . . . . 0.0 110.672 173.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -67.47 -37.99 83.75 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 173.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.76 -25.86 67.72 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 119.431 1.014 . . . . 0.0 113.305 173.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.0 t -75.87 -14.8 60.28 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.148 1.379 . . . . 0.0 113.988 174.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.7 p -136.23 97.5 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 CA-C-O 122.649 1.214 . . . . 0.0 112.13 -176.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.4 m -91.51 44.43 1.18 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.712 1.605 . . . . 0.0 112.798 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.78 134.56 22.35 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.32 1.048 . . . . 0.0 111.313 177.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.57 -51.98 67.58 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.972 0.909 . . . . 0.0 112.433 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.4 m -65.02 -35.53 81.49 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.416 1.086 . . . . 0.0 113.083 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.49 -28.67 56.55 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.206 -0.934 . . . . 0.0 112.27 175.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.98 -35.25 80.59 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.929 1.24 . . . . 0.0 111.15 167.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.9 m -60.24 -42.28 94.9 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.926 0.785 . . . . 0.0 112.417 167.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.3 t -63.77 -39.74 94.99 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.324 0.649 . . . . 0.0 112.708 173.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.54 -50.16 73.78 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 121.31 -0.869 . . . . 0.0 110.652 172.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.06 73.62 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.848 1.204 . . . . 0.0 112.895 174.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -65.1 -56.0 15.51 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.297 -0.877 . . . . 0.0 111.919 173.053 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -64.01 -51.11 65.76 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.519 1.054 . . . . 0.0 112.919 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 45.7 mm -71.38 -38.69 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 124.237 1.015 . . . . 0.0 110.469 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.59 -34.94 91.29 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 124.285 0.945 . . . . 0.0 113.365 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 tp -54.18 -50.96 65.83 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.186 0.993 . . . . 0.0 110.762 170.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.7 t -74.86 -30.77 61.44 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.901 0.88 . . . . 0.0 113.356 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.57 -50.29 74.11 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.784 1.175 . . . . 0.0 111.389 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.64 -49.44 76.45 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.626 1.171 . . . . 0.0 112.071 169.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.59 -33.94 76.72 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.3 t -63.44 -35.62 81.04 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.701 1.6 . . . . 0.0 112.363 173.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.4 -7.75 58.19 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.602 1.161 . . . . 0.0 113.068 172.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.12 14.68 78.71 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 125.23 1.395 . . . . 0.0 114.854 -177.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 17.4 mm -75.51 113.51 14.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 125.271 1.428 . . . . 0.0 110.803 -177.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.57 -13.91 59.99 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 177.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -70.2 7.74 0.93 Allowed 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 125.585 1.554 . . . . 0.0 113.725 171.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -44.15 -52.77 7.04 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 120.913 1.688 . . . . 0.0 114.676 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.1 t -69.01 -38.7 79.37 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.345 1.058 . . . . 0.0 113.331 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.14 -44.27 65.89 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.206 1.002 . . . . 0.0 112.294 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.8 tp -62.99 -51.31 67.35 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-O 117.32 -1.324 . . . . 0.0 109.617 170.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.59 -38.39 66.67 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 121.254 1.843 . . . . 0.0 112.669 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -71.45 -0.62 39.5 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 125.498 1.523 . . . . 0.0 116.321 172.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.69 -28.85 2.94 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.616 1.966 . . . . 0.0 112.642 177.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.3 tp -64.66 -39.24 93.35 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 127.373 2.269 . . . . 0.0 110.15 171.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.16 -33.29 67.27 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.794 1.238 . . . . 0.0 113.274 167.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -38.54 52.65 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.958 1.254 . . . . 0.0 112.124 172.129 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.58 -49.72 72.26 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.204 0.911 . . . . 0.0 111.699 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.3 p -73.34 -40.11 56.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-N 118.506 0.594 . . . . 0.0 112.416 176.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -74.59 -28.31 63.6 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.041 0.829 . . . . 0.0 113.501 -174.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.57 -26.97 65.34 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.352 1.453 . . . . 0.0 113.801 173.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.5 t -136.27 36.48 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 125.779 1.632 . . . . 0.0 110.183 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.63 135.46 25.06 Favored Glycine 0 CA--C 1.533 1.217 0 O-C-N 120.47 -1.394 . . . . 0.0 111.669 177.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 47.78 83.13 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.1 1.76 . . . . 0.0 115.23 -176.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -178.64 -38.91 0.06 OUTLIER Glycine 0 CA--C 1.531 1.075 0 N-CA-C 115.154 0.822 . . . . 0.0 115.154 170.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.16 -74.81 0.44 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.727 0.811 . . . . 0.0 112.02 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.8 t 161.36 168.1 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 128.279 2.632 . . . . 0.0 110.078 -176.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.28 -22.39 0.4 Allowed 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 161.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -61.37 -50.63 72.12 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 120.638 1.563 . . . . 0.0 112.03 169.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.16 -38.34 82.0 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 118.31 -0.852 . . . . 0.0 112.378 173.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -68.54 -42.46 78.39 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.885 1.22 . . . . 0.0 110.784 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.12 -40.34 82.52 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.987 0.915 . . . . 0.0 112.519 172.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -64.21 -38.67 91.9 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 120.102 1.319 . . . . 0.0 111.231 173.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.24 -47.59 76.25 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.061 0.945 . . . . 0.0 112.036 172.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.6 -42.41 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.388 0.675 . . . . 0.0 110.917 177.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.64 -41.87 30.31 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.793 1.237 . . . . 0.0 113.086 -176.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 28.2 ptt180 -62.75 -39.18 93.34 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.785 1.175 . . . . 0.0 111.038 173.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -80.07 -34.26 38.27 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.017 0.826 . . . . 0.0 112.615 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.6 -50.8 67.19 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.084 0.856 . . . . 0.0 110.395 162.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.63 -40.58 98.13 Favored Glycine 0 C--N 1.339 0.739 0 CA-C-O 117.992 -1.449 . . . . 0.0 112.724 176.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -54.88 -45.32 74.62 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.761 1.78 . . . . 0.0 112.72 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -70.91 -47.4 59.34 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.688 0.676 . . . . 0.0 110.794 178.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.8 mp -62.52 -36.51 82.79 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 120.932 -1.105 . . . . 0.0 112.871 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.82 -2.77 2.75 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 127.344 2.258 . . . . 0.0 114.606 172.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.4 t -59.93 -12.23 7.35 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.615 1.098 . . . . 0.0 113.413 164.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 87.85 5.47 0.26 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 129.021 2.928 . . . . 0.0 112.355 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -82.6 -12.53 80.03 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 124.804 1.193 . . . . 0.0 113.898 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 24.0 t -140.81 -45.7 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.298 1.439 . . . . 0.0 110.684 -177.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.73 142.47 35.41 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.596 -0.69 . . . . 0.0 111.58 174.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -145.28 37.25 1.12 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.775 1.23 . . . . 0.0 112.674 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 48.23 33.56 3.81 Favored 'General case' 0 CA--C 1.559 1.289 0 N-CA-C 115.556 1.688 . . . . 0.0 115.556 175.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -166.23 -43.42 0.02 OUTLIER Glycine 0 N--CA 1.474 1.232 0 C-N-CA 125.505 1.526 . . . . 0.0 112.409 -178.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -84.52 8.31 17.02 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 167.106 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.42 -44.97 89.29 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.796 1.18 . . . . 0.0 112.578 -177.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 51.8 p -70.24 -39.19 75.18 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 177.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.15 -52.24 63.26 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.82 0.848 . . . . 0.0 111.425 176.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -67.49 -29.64 69.12 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-O 117.963 -1.018 . . . . 0.0 111.902 176.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.443 ' HA ' ' CE2' ' A' ' 22' ' ' PHE . . . -67.52 -51.4 51.43 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 120.374 1.443 . . . . 0.0 114.0 174.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -52.32 -49.33 51.47 Favored Glycine 0 C--N 1.338 0.691 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 173.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 63.2 m -58.67 -46.98 86.01 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 173.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -66.84 -41.23 87.75 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 121.668 2.031 . . . . 0.0 111.868 -177.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.435 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . . . -59.83 -57.06 14.54 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.871 1.269 . . . . 0.0 111.02 173.178 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -32.37 69.6 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 117.666 -1.159 . . . . 0.0 112.044 175.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.92 -44.71 60.9 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 120.48 1.491 . . . . 0.0 113.235 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.6 -42.52 99.62 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.616 -0.677 . . . . 0.0 109.659 171.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.7 m -62.68 -31.71 72.65 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 169.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.49 -43.74 59.48 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 121.184 1.811 . . . . 0.0 111.116 -176.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 44.0 t -57.51 -50.03 74.4 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.366 165.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.07 -44.69 87.67 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 120.144 1.338 . . . . 0.0 114.21 177.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -61.03 -42.73 99.03 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.66 1.984 . . . . 0.0 112.05 176.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 74.2 m -74.97 -34.35 62.01 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.544 0.738 . . . . 0.0 112.424 175.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -72.38 -22.83 61.08 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.155 0.982 . . . . 0.0 112.177 174.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 73.3 m -58.47 -13.86 6.51 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 120.877 1.672 . . . . 0.0 113.415 163.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -99.35 -6.94 26.97 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.428 1.491 . . . . 0.0 114.209 170.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -115.82 -22.55 9.04 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.378 1.471 . . . . 0.0 113.623 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -108.64 -35.33 6.46 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 127.932 2.493 . . . . 0.0 111.116 174.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.06 34.3 4.54 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.362 1.465 . . . . 0.0 111.572 178.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -51.98 -18.16 1.27 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.532 1.133 . . . . 0.0 113.783 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -45.45 -29.62 1.16 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.972 1.309 . . . . 0.0 113.576 167.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -60.14 -23.78 64.19 Favored 'General case' 0 CA--C 1.55 0.971 0 O-C-N 120.816 -1.177 . . . . 0.0 113.795 173.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -77.78 -23.94 49.02 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.397 1.079 . . . . 0.0 113.707 175.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.72 -25.86 12.97 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.215 1.006 . . . . 0.0 112.83 177.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -71.97 34.8 0.06 Allowed 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 126.502 1.921 . . . . 0.0 113.351 170.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.5 t -150.26 -48.84 0.13 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.038 1.335 . . . . 0.0 111.023 167.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.88 -41.95 34.99 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -77.6 -38.3 48.51 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.451 -0.78 . . . . 0.0 111.574 -177.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -65.71 -27.39 68.3 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 173.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -67.02 -25.39 66.26 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.103 -0.998 . . . . 0.0 113.345 173.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -75.46 -5.47 45.22 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 172.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -75.21 17.04 0.27 Allowed 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 175.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -67.68 36.81 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 127.327 2.251 . . . . 0.0 114.189 174.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -125.93 15.87 7.97 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 128.175 2.59 . . . . 0.0 111.421 -174.021 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 79.9 p -60.93 165.21 4.25 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.795 1.638 . . . . 0.0 113.957 172.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -100.45 20.63 14.55 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.673 1.189 . . . . 0.0 113.203 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -70.41 33.54 0.04 OUTLIER 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 126.512 1.925 . . . . 0.0 114.736 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -58.66 -24.44 61.21 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.946 1.698 . . . . 0.0 114.0 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.1 t 51.4 47.34 25.01 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.834 1.653 . . . . 0.0 113.888 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -127.82 -87.68 0.56 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.198 1.399 . . . . 0.0 111.979 -174.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 47.6 p -98.02 4.36 49.31 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.171 1.388 . . . . 0.0 113.432 176.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 14.7 tpt85 -95.33 138.04 33.57 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 127.052 2.141 . . . . 0.0 110.934 177.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.295 0 C-N-CA 125.084 1.353 . . . . 0.0 113.237 176.493 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.55 166.24 10.92 Favored Glycine 0 N--CA 1.476 1.327 0 C-N-CA 125.349 1.452 . . . . 0.0 112.86 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -156.77 162.58 39.75 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.364 1.066 . . . . 0.0 111.849 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 36.5 m -138.58 91.93 2.58 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.944 1.298 . . . . 0.0 109.711 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.1 m -147.0 143.36 28.37 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.936 1.694 . . . . 0.0 110.855 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -115.74 -19.17 10.61 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.412 1.085 . . . . 0.0 113.711 176.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 39.23 53.37 2.2 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 127.962 2.505 . . . . 0.0 114.084 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.52 164.32 12.16 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.595 1.158 . . . . 0.0 112.668 -175.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.7 p -151.35 -49.65 0.12 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.787 1.235 . . . . 0.0 112.746 -176.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.45 113.06 8.1 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.401 1.08 . . . . 0.0 111.113 173.388 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.9 m -74.98 70.92 2.04 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.519 1.128 . . . . 0.0 111.496 172.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.21 -22.02 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 128.724 2.81 . . . . 0.0 117.7 -174.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . 0.271 78.9 p 42.95 31.77 0.35 Allowed 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 127.621 2.368 . . . . 0.0 116.425 177.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -154.27 -40.21 0.09 Allowed 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.2 m -115.03 20.9 14.71 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 125.258 1.423 . . . . 0.0 113.646 -177.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -56.51 -23.46 39.77 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 112.886 -1.961 . . . . 0.0 115.532 177.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 t -67.33 -37.26 83.0 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.424 1.09 . . . . 0.0 113.437 -176.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 t -84.43 -34.15 23.54 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 121.567 -0.708 . . . . 0.0 111.908 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.49 -33.15 74.52 Favored 'General case' 0 CA--C 1.559 1.308 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -47.48 -53.32 14.53 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.3 1.44 . . . . 0.0 109.562 165.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.82 -16.64 59.12 Favored 'General case' 0 CA--C 1.562 1.412 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -176.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -78.14 -42.82 30.58 Favored 'General case' 0 CA--C 1.558 1.267 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 170.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.9 -31.69 66.65 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.33 -45.36 54.83 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 126.387 1.875 . . . . 0.0 111.383 166.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.49 -27.14 46.73 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 173.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.3 t -60.4 -39.49 87.54 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.203 -0.936 . . . . 0.0 113.487 174.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.33 -29.15 15.78 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 175.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.18 -41.17 92.33 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.444 1.098 . . . . 0.0 111.753 173.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.18 -25.5 68.11 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 172.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 m -73.0 -9.44 58.73 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 126.315 1.846 . . . . 0.0 113.373 170.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.5 t -130.17 70.08 1.44 Allowed 'General case' 0 CA--C 1.533 0.321 0 O-C-N 120.29 -1.506 . . . . 0.0 110.642 -175.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.3 t -53.34 -27.32 22.86 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 174.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.57 -15.68 40.97 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 170.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.4 tt -67.44 -39.01 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 O-C-N 120.815 -1.178 . . . . 0.0 111.233 167.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.2 m -66.6 -32.89 74.51 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.78 0.832 . . . . 0.0 111.651 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -35.39 70.67 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.839 1.656 . . . . 0.0 111.829 168.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.51 -46.54 86.53 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 119.16 0.891 . . . . 0.0 110.382 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -70.05 -34.16 72.87 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 174.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.83 -32.3 71.69 Favored 'General case' 0 CA--C 1.56 1.329 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 171.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.53 -16.96 61.77 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 125.839 1.656 . . . . 0.0 115.075 173.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -140.17 102.11 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 CA-C-O 122.698 1.237 . . . . 0.0 111.506 -175.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.9 p -92.45 27.85 2.15 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 127.724 2.409 . . . . 0.0 114.837 -174.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 m -136.78 136.86 39.25 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.498 1.119 . . . . 0.0 112.191 -175.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.87 -50.98 71.98 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.8 t -69.07 -37.22 78.37 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.72 -0.613 . . . . 0.0 112.375 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.26 -30.63 66.54 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 174.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.61 -36.41 83.64 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.476 1.034 . . . . 0.0 110.906 169.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -42.51 94.65 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-O 118.386 -0.816 . . . . 0.0 111.71 166.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 64.5 m -64.62 -39.13 93.16 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 173.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 tp -56.13 -56.51 19.98 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.182 1.393 . . . . 0.0 109.143 169.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.418 ' HB1' HD23 ' A' ' 76' ' ' LEU . . . -65.76 -27.29 68.19 Favored 'General case' 0 CA--C 1.556 1.208 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -63.63 -59.08 5.06 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 125.757 1.623 . . . . 0.0 112.082 164.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -54.99 -46.6 75.16 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.024 0.929 . . . . 0.0 111.356 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.0 mp -80.69 -39.73 18.5 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.266 0 CA-C-O 118.157 -0.925 . . . . 0.0 112.404 -178.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.31 -35.49 78.84 Favored Glycine 0 N--CA 1.483 1.79 0 C-N-CA 124.53 1.062 . . . . 0.0 113.537 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.14 -55.73 31.17 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.085 1.354 . . . . 0.0 111.761 171.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.6 t -64.74 -33.18 75.37 Favored 'General case' 0 CA--C 1.561 1.398 0 C-N-CA 124.191 0.996 . . . . 0.0 113.169 176.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.96 -51.79 65.53 Favored 'General case' 0 C--O 1.255 1.355 0 C-N-CA 123.934 0.894 . . . . 0.0 112.355 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.1 -47.98 79.74 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.583 171.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -56.05 -45.42 79.23 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 120.814 -1.179 . . . . 0.0 112.056 176.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.4 t -61.02 -36.57 79.86 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.692 1.197 . . . . 0.0 112.431 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -78.3 -20.05 52.32 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.782 1.233 . . . . 0.0 113.081 171.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.09 6.24 45.72 Favored Glycine 0 CA--C 1.555 2.573 0 C-N-CA 125.687 1.613 . . . . 0.0 114.459 178.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.4 mt -76.01 106.33 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 127.753 2.421 . . . . 0.0 109.137 -176.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.1 -9.04 35.36 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.391 1.077 . . . . 0.0 113.846 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.4 m -67.35 -1.89 5.35 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.572 1.149 . . . . 0.0 113.96 167.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.9 p30 -38.93 -50.89 1.77 Allowed 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 -178.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.4 t -61.47 -34.63 75.77 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.913 1.285 . . . . 0.0 114.022 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.27 -42.49 23.03 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.882 0.873 . . . . 0.0 112.362 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.2 tp -60.16 -46.3 90.17 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 124.751 1.22 . . . . 0.0 111.105 174.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.32 -40.48 74.47 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.496 0.718 . . . . 0.0 111.788 176.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.63 10.32 56.41 Favored Glycine 0 CA--C 1.56 2.859 0 C-N-CA 125.91 1.719 . . . . 0.0 115.939 173.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -130.16 -34.16 1.67 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.286 1.434 . . . . 0.0 112.39 -178.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.418 HD23 ' HB1' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -60.44 -40.37 90.85 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.511 1.124 . . . . 0.0 110.417 167.731 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.15 -35.95 65.27 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.026 0.93 . . . . 0.0 113.414 172.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -70.42 -42.87 71.03 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.247 1.019 . . . . 0.0 111.982 174.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.33 -43.52 85.89 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 174.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.5 t -72.37 -50.46 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.938 1.695 . . . . 0.0 111.254 -178.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.2 -35.96 86.68 Favored Glycine 0 CA--C 1.544 1.896 0 C-N-CA 124.068 0.842 . . . . 0.0 112.139 174.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.95 -21.0 22.21 Favored Glycine 0 CA--C 1.546 2.026 0 C-N-CA 125.377 1.465 . . . . 0.0 116.083 173.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.2 t -131.81 15.61 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 C-N-CA 125.238 1.415 . . . . 0.0 110.282 176.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.03 128.16 45.62 Favored Glycine 0 CA--C 1.538 1.5 0 O-C-N 120.981 -1.074 . . . . 0.0 111.321 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 48.31 88.4 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 126.967 2.107 . . . . 0.0 115.032 -176.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 179.77 -34.8 0.07 OUTLIER Glycine 0 N--CA 1.479 1.553 0 CA-C-O 119.144 -0.809 . . . . 0.0 114.572 170.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.6 -98.35 0.14 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.134 0.974 . . . . 0.0 110.314 171.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 91.4 p -174.68 -178.07 1.26 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 125.675 1.59 . . . . 0.0 111.185 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.0 -29.38 0.82 Allowed 'General case' 0 CA--C 1.543 0.675 0 CA-C-O 117.408 -1.282 . . . . 0.0 114.22 161.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.5 t -62.35 -49.44 75.58 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.846 1.203 . . . . 0.0 111.747 174.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.66 -35.93 75.59 Favored 'General case' 0 CA--C 1.553 1.069 0 O-C-N 121.727 -0.608 . . . . 0.0 112.416 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -65.67 -51.03 62.66 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 118.563 0.619 . . . . 0.0 109.5 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.04 -43.31 81.84 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.918 1.287 . . . . 0.0 113.623 172.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -70.04 -39.53 75.69 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 117.717 -1.135 . . . . 0.0 112.333 177.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.13 96.8 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 124.154 0.909 . . . . 0.0 112.364 172.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 33.0 mt -61.86 -56.9 14.75 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.065 0 C-N-CA 124.496 1.119 . . . . 0.0 111.689 173.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.46 -40.96 89.7 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.338 0.655 . . . . 0.0 112.379 -177.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -64.03 -45.21 89.9 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-O 116.456 -1.735 . . . . 0.0 110.749 174.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.76 -37.29 81.9 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 121.279 1.854 . . . . 0.0 111.937 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.37 -49.28 76.69 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 169.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -68.69 -37.13 84.23 Favored Glycine 0 CA--C 1.54 1.605 0 CA-C-O 119.279 -0.734 . . . . 0.0 113.225 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -56.19 -45.16 79.89 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.62 1.568 . . . . 0.0 111.36 175.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -63.3 -39.92 95.91 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 118.322 0.51 . . . . 0.0 111.187 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.1 mp -71.14 -39.22 72.12 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.69 1.196 . . . . 0.0 111.771 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.22 91.08 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 124.31 1.044 . . . . 0.0 113.257 170.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.0 m -65.0 -46.46 81.32 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.886 1.674 . . . . 0.0 112.28 175.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -71.79 -51.4 22.81 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.441 1.096 . . . . 0.0 111.714 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 127.39 11.62 3.33 Favored Glycine 0 CA--C 1.547 2.09 0 N-CA-C 114.932 0.733 . . . . 0.0 114.932 -174.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.5 t -71.28 -42.51 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 C-N-CA 123.592 0.757 . . . . 0.0 109.92 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.8 mp -66.97 140.08 57.72 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.724 171.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -144.94 22.28 1.58 Allowed 'General case' 0 CA--C 1.562 1.408 0 C-N-CA 126.783 2.033 . . . . 0.0 112.134 -172.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 53.56 43.38 31.3 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 125.685 1.594 . . . . 0.0 113.481 174.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -163.37 -40.65 0.02 OUTLIER Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.276 0.941 . . . . 0.0 113.073 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.6 10.76 29.06 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.237 1.415 . . . . 0.0 112.155 167.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.4 -49.66 76.69 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 120.935 1.698 . . . . 0.0 111.051 178.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 54.4 p -65.76 -37.53 86.61 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 176.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.85 -53.79 45.12 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.839 0.855 . . . . 0.0 111.543 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.6 mp -62.09 -35.88 80.02 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 116.811 -1.566 . . . . 0.0 111.991 172.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.77 -52.77 61.9 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 119.089 0.859 . . . . 0.0 113.045 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.89 -47.39 65.88 Favored Glycine 0 CA--C 1.56 2.875 0 O-C-N 125.073 1.483 . . . . 0.0 111.795 173.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 71.7 m -62.0 -43.69 98.3 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 116.294 -1.812 . . . . 0.0 115.457 173.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.41 -47.03 80.71 Favored 'General case' 0 CA--C 1.502 -0.889 0 O-C-N 124.39 1.056 . . . . 0.0 110.765 178.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -52.88 -55.18 25.09 Favored 'General case' 0 C--O 1.247 0.953 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 173.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -64.64 -29.62 70.63 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 126.573 2.421 . . . . 0.0 111.338 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -79.97 -45.41 18.52 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.767 1.167 . . . . 0.0 111.96 -176.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.6 tt -61.25 -46.81 88.87 Favored 'General case' 0 CA--C 1.555 1.142 0 O-C-N 124.731 1.269 . . . . 0.0 109.408 171.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 22.2 p -70.17 -32.96 71.15 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-O 118.126 -0.94 . . . . 0.0 113.536 174.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.24 -40.56 90.33 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 121.078 1.763 . . . . 0.0 112.21 173.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.9 t -59.33 -47.5 85.16 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 116.179 -1.867 . . . . 0.0 110.296 168.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.65 -41.78 95.65 Favored 'General case' 0 CA--C 1.563 1.47 0 CA-C-N 120.784 1.629 . . . . 0.0 114.382 175.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -56.23 -49.71 73.34 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 125.816 1.646 . . . . 0.0 111.121 170.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.1 t -71.86 -27.25 62.75 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.459 1.104 . . . . 0.0 111.829 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -66.74 -36.17 81.83 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 120.459 1.481 . . . . 0.0 112.29 172.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.6 t -60.03 -16.77 33.81 Favored 'General case' 0 CA--C 1.56 1.344 0 CA-C-N 119.47 1.032 . . . . 0.0 113.143 167.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -99.9 -7.58 25.09 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 126.242 1.817 . . . . 0.0 115.203 171.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -116.36 -22.37 8.83 Favored 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 124.445 1.098 . . . . 0.0 113.522 -177.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.19 -16.53 12.55 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 126.852 2.061 . . . . 0.0 112.381 173.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.3 m -131.49 31.7 4.28 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.389 2.276 . . . . 0.0 110.862 -177.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -11.29 0.41 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.623 1.169 . . . . 0.0 113.884 174.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -47.19 -37.28 9.91 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 124.853 1.261 . . . . 0.0 112.613 162.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -58.8 -33.55 70.48 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 125.425 1.49 . . . . 0.0 114.234 174.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -68.95 -50.32 50.2 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.387 0.675 . . . . 0.0 111.141 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -69.34 -41.21 76.93 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 118.522 -0.751 . . . . 0.0 111.451 174.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -74.89 34.26 0.1 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.182 1.793 . . . . 0.0 113.38 172.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 15.3 t -147.4 -47.69 0.17 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.402 1.481 . . . . 0.0 110.515 166.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.18 -46.81 22.08 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 177.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -73.39 -37.97 65.8 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 121.627 -0.671 . . . . 0.0 112.468 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -65.05 -30.85 71.84 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 174.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -67.9 -25.1 65.33 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 173.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -88.83 -3.02 58.87 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.408 1.083 . . . . 0.0 113.038 174.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -75.32 9.71 1.96 Allowed 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 125.182 1.393 . . . . 0.0 114.026 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -62.67 21.0 0.01 OUTLIER 'General case' 0 CA--C 1.567 1.611 0 C-N-CA 126.756 2.022 . . . . 0.0 114.574 176.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -114.97 17.39 16.9 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 128.272 2.629 . . . . 0.0 112.331 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 9.7 t -110.85 176.08 5.17 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.656 1.983 . . . . 0.0 110.949 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -74.44 9.16 1.84 Allowed 'General case' 0 CA--C 1.567 1.621 0 C-N-CA 125.25 1.42 . . . . 0.0 113.879 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -81.15 32.34 0.33 Allowed 'General case' 0 CA--C 1.562 1.424 0 C-N-CA 125.891 1.676 . . . . 0.0 113.275 -176.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -55.62 154.28 6.89 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 125.632 1.573 . . . . 0.0 112.471 177.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 18.3 t -87.52 -36.7 17.46 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.79 123.63 18.95 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.467 0.707 . . . . 0.0 111.493 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 3.3 t 46.45 53.98 9.13 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 125.405 1.482 . . . . 0.0 114.534 -176.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -135.47 126.51 27.85 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.73 1.612 . . . . 0.0 109.867 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.518 0 CA-C-O 116.401 -1.761 . . . . 0.0 114.843 173.442 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.4 m . . . . . 0 N--CA 1.471 0.593 0 N-CA-C 110.716 -0.105 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.13 -165.13 54.89 Favored Glycine 0 CA--C 1.537 1.44 0 O-C-N 121.806 -0.559 . . . . 0.0 112.852 -170.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.33 63.32 0.37 Allowed 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 125.644 1.578 . . . . 0.0 113.603 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.6 p -69.81 55.75 0.13 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 127.72 2.408 . . . . 0.0 114.107 177.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.9 t 83.31 109.18 0.06 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 128.983 2.913 . . . . 0.0 111.654 -178.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -137.27 76.13 1.57 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.866 1.666 . . . . 0.0 110.719 -174.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -149.52 162.36 40.31 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.896 1.678 . . . . 0.0 111.128 173.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.32 147.5 40.22 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.465 1.106 . . . . 0.0 112.71 174.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.0 p -93.23 -58.57 2.27 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.936 1.088 . . . . 0.0 113.936 -172.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 33.12 71.05 0.1 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 128.198 2.599 . . . . 0.0 115.626 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.6 t -148.36 -54.77 0.2 Allowed 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.65 81.61 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -172.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.4 t 42.27 40.67 1.85 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.978 2.111 . . . . 0.0 115.843 174.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.08 -42.73 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 64.9 m -121.41 34.43 5.2 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.188 1.395 . . . . 0.0 112.173 -174.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -59.12 -21.55 59.47 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.801 1.24 . . . . 0.0 113.933 177.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.5 p -55.6 -36.22 66.68 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.759 1.223 . . . . 0.0 113.95 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.9 m -93.21 -30.71 15.06 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.48 0.712 . . . . 0.0 112.838 171.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.18 -43.41 98.89 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 120.016 1.28 . . . . 0.0 112.11 177.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -48.55 79.94 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.412 0.685 . . . . 0.0 110.281 172.104 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.89 -22.42 64.18 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -175.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.71 -35.71 22.34 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.489 1.116 . . . . 0.0 111.725 172.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.18 -29.03 66.94 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.226 -0.921 . . . . 0.0 113.18 170.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.428 ' HB1' ' HB2' ' A' ' 123' ' ' ALA . . . -52.35 -49.77 63.65 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.122 0.969 . . . . 0.0 111.439 165.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.9 m -58.68 -25.24 62.63 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 175.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.0 t -60.4 -43.31 96.79 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.706 1.139 . . . . 0.0 111.913 172.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.02 -34.59 26.25 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 176.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.41 ' CD2' ' HB1' ' A' ' 93' ' ' ALA . 0.9 OUTLIER -60.79 -39.99 90.92 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.593 0.757 . . . . 0.0 111.538 175.331 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.97 -17.13 64.47 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.09 1.356 . . . . 0.0 114.13 171.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.99 -9.12 59.67 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.443 1.497 . . . . 0.0 112.694 172.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.8 t -124.66 73.8 1.29 Allowed 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.581 1.552 . . . . 0.0 111.122 -177.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.7 m -55.36 -29.38 58.27 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.751 -1.218 . . . . 0.0 113.588 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.2 -9.84 49.95 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 173.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.2 tt -66.0 -40.61 87.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 CA-C-N 120.717 1.598 . . . . 0.0 111.678 166.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.0 m -62.75 -28.65 70.12 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 121.638 -0.663 . . . . 0.0 111.615 176.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -30.08 70.3 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.08 0.952 . . . . 0.0 113.421 173.534 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.26 -50.76 72.36 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.024 0.829 . . . . 0.0 110.705 170.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -69.91 -30.95 68.49 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.586 -0.696 . . . . 0.0 112.65 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.03 -29.94 70.88 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 121.312 -0.867 . . . . 0.0 112.955 172.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -20.22 35.52 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.467 1.107 . . . . 0.0 113.551 171.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.4 t -114.91 83.24 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.9 1.68 . . . . 0.0 110.744 -171.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.7 m -91.72 32.56 1.09 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.877 1.671 . . . . 0.0 113.749 -175.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.44 140.47 31.96 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.374 1.47 . . . . 0.0 111.664 -176.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.98 -59.16 5.47 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.663 1.185 . . . . 0.0 112.678 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.9 t -64.11 -34.06 77.2 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.577 0.751 . . . . 0.0 112.487 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.58 -34.61 74.39 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.009 -1.057 . . . . 0.0 112.637 175.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.37 96.75 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.326 0.966 . . . . 0.0 110.66 169.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.8 m -58.78 -42.65 89.52 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.582 0.753 . . . . 0.0 112.162 170.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.6 m -65.47 -40.72 93.49 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.338 1.055 . . . . 0.0 112.683 176.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 tt -62.73 -49.5 74.8 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 118.738 0.699 . . . . 0.0 110.036 173.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.82 -37.58 84.98 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.172 -0.955 . . . . 0.0 113.09 176.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -60.13 -57.45 12.78 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.47 -1.394 . . . . 0.0 111.397 171.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -59.21 -51.52 69.64 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.555 1.07 . . . . 0.0 112.761 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 25.8 mm -73.71 -36.78 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 124.4 1.08 . . . . 0.0 111.218 -175.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.23 -34.33 87.8 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 125.031 1.3 . . . . 0.0 113.252 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.97 -49.48 76.66 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.057 0.943 . . . . 0.0 110.108 168.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 t -66.59 -34.85 78.8 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 175.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.23 -52.01 51.95 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.949 1.3 . . . . 0.0 111.705 178.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.77 -46.4 70.97 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.404 0.682 . . . . 0.0 110.971 170.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -60.25 -38.54 83.77 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.5 t -62.97 -33.53 75.58 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.326 1.451 . . . . 0.0 112.701 177.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.509 HD21 ' HA ' ' A' ' 122' ' ' PHE . 3.1 mm? -85.75 -7.56 58.69 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.832 1.253 . . . . 0.0 113.127 171.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.12 10.17 84.19 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 125.495 1.521 . . . . 0.0 114.515 -176.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.1 mm -72.76 103.63 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 C-N-CA 126.098 1.759 . . . . 0.0 110.159 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.83 -14.44 33.31 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 178.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.7 p -66.81 -2.27 4.89 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 170.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -31.68 -56.87 0.28 Allowed 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 116.01 1.856 . . . . 0.0 116.01 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.6 t -61.4 -41.17 96.72 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.648 1.579 . . . . 0.0 114.018 176.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.3 -44.23 59.5 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.207 1.403 . . . . 0.0 112.035 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.6 tp -63.08 -46.44 87.41 Favored 'General case' 0 C--O 1.22 -0.478 0 C-N-CA 123.941 0.897 . . . . 0.0 110.806 173.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.57 -40.83 72.46 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.95 1.25 . . . . 0.0 111.712 176.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -70.78 -4.41 53.81 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 125.447 1.499 . . . . 0.0 115.897 172.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -119.02 -22.53 7.21 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.71 2.004 . . . . 0.0 112.881 177.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.503 HD11 ' HA ' ' A' ' 96' ' ' ILE . 13.5 tp -73.43 -36.54 65.96 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.923 1.689 . . . . 0.0 110.622 176.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.83 -24.69 62.35 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 165.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -43.22 36.04 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.281 1.4 . . . . 0.0 111.787 170.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.02 -35.77 81.34 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.124 0.874 . . . . 0.0 112.39 176.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 64.3 t -89.71 -35.26 7.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.805 1.242 . . . . 0.0 112.747 -178.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -77.65 -32.3 46.74 Favored Glycine 0 N--CA 1.47 0.939 0 CA-C-N 119.249 0.931 . . . . 0.0 113.027 176.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -64.31 -20.24 65.1 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.788 1.185 . . . . 0.0 113.819 169.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.8 t -136.95 53.86 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.952 1.701 . . . . 0.0 109.828 176.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.46 117.91 6.02 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 121.249 -0.907 . . . . 0.0 111.184 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 56.21 112.24 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 127.243 2.217 . . . . 0.0 115.092 -169.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 164.08 -37.94 0.31 Allowed Glycine 0 N--CA 1.473 1.121 0 O-C-N 121.192 -0.943 . . . . 0.0 114.328 171.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -101.26 -75.27 0.59 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.289 1.036 . . . . 0.0 110.707 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.6 p 169.92 179.97 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 127.511 2.324 . . . . 0.0 111.499 177.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.39 -31.19 1.57 Allowed 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 162.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.2 m -66.91 -32.58 73.93 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.809 1.64 . . . . 0.0 113.553 175.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.62 -47.41 69.73 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 119.235 0.925 . . . . 0.0 111.42 171.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.65 -46.68 74.93 Favored 'General case' 0 C--O 1.221 -0.442 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -178.464 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.41 ' HB1' ' CD2' ' A' ' 30' ' ' LEU . . . -52.4 -53.46 44.79 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.387 1.475 . . . . 0.0 113.542 172.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -68.62 -38.51 80.61 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.11 -0.947 . . . . 0.0 111.681 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.92 -37.9 89.18 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.86 1.209 . . . . 0.0 112.672 174.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.503 ' HA ' HD11 ' A' ' 76' ' ' LEU . 40.3 mt -64.62 -54.48 29.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 126.091 1.756 . . . . 0.0 110.353 174.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.16 -49.22 77.76 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.311 0.644 . . . . 0.0 110.92 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.1 mtt-85 -54.62 -56.88 14.46 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.834 1.253 . . . . 0.0 111.473 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.21 81.19 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 120.381 1.446 . . . . 0.0 113.47 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.11 -47.61 82.72 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.557 -0.714 . . . . 0.0 112.5 171.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -84.01 -23.26 52.88 Favored Glycine 0 CA--C 1.532 1.113 0 N-CA-C 115.141 0.816 . . . . 0.0 115.141 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -53.52 -40.18 65.24 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.988 1.394 . . . . 0.0 109.833 163.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.15 -34.42 68.49 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 175.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.41 -39.62 94.2 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 120.941 -1.099 . . . . 0.0 111.528 172.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.75 -43.05 80.81 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.467 1.507 . . . . 0.0 111.758 174.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.1 m -65.88 -44.22 86.0 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.602 1.561 . . . . 0.0 112.907 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -75.64 -19.24 59.33 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 96.61 19.15 28.16 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.901 1.238 . . . . 0.0 115.377 177.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.2 t -94.4 -29.0 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 125.291 1.436 . . . . 0.0 111.954 -177.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 17.4 tp -100.61 123.0 44.23 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.141 1.776 . . . . 0.0 109.653 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -141.48 41.65 1.74 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.357 1.463 . . . . 0.0 111.209 -173.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 59.28 13.33 3.04 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 -177.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -112.1 -37.09 1.55 Allowed Glycine 0 N--CA 1.471 1.03 0 C-N-CA 124.984 1.278 . . . . 0.0 113.536 -176.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -116.85 32.18 6.31 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.63 1.972 . . . . 0.0 110.48 174.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.06 -58.43 7.93 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.85 1.26 . . . . 0.0 111.874 175.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 25.5 p -67.93 -32.24 72.56 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 176.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.57 -54.34 20.71 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.468 0.576 . . . . 0.0 112.034 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.44 -44.24 65.2 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-O 117.337 -1.316 . . . . 0.0 111.96 178.085 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -74.36 -35.64 63.55 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 120.908 1.686 . . . . 0.0 113.04 -176.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.9 -52.23 50.19 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.17 -1.172 . . . . 0.0 110.17 166.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 70.6 m -63.29 -36.73 84.64 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-O 117.709 -1.139 . . . . 0.0 114.073 175.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.509 ' HA ' HD21 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -68.29 -45.91 71.76 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 121.593 1.997 . . . . 0.0 111.13 177.776 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.428 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . . . -58.22 -51.51 69.47 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.76 0.824 . . . . 0.0 111.589 172.214 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -31.55 72.09 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 118.319 -0.848 . . . . 0.0 112.961 175.127 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -79.35 -44.88 20.69 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 119.87 1.214 . . . . 0.0 111.505 -177.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.4 tt -62.4 -44.24 96.91 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.094 0.957 . . . . 0.0 109.98 172.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.0 p -67.01 -45.21 78.23 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-O 117.845 -1.074 . . . . 0.0 112.686 174.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.81 -39.75 90.15 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 120.936 1.698 . . . . 0.0 112.114 174.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 37.2 m -59.3 -43.81 92.59 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-O 117.449 -1.263 . . . . 0.0 110.66 169.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.8 -41.56 97.91 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 121.108 1.776 . . . . 0.0 113.677 170.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -61.51 -41.2 96.96 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.831 1.196 . . . . 0.0 111.934 176.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 74.9 m -78.75 -31.23 46.18 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.777 1.231 . . . . 0.0 112.42 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -67.57 -20.25 65.37 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 117.277 -1.344 . . . . 0.0 112.093 172.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 70.3 m -53.38 -30.14 38.31 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 121.04 1.746 . . . . 0.0 113.325 164.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -77.56 -37.32 50.91 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.717 0.807 . . . . 0.0 112.981 172.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -81.34 -38.49 26.62 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -178.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -74.53 -24.91 59.03 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.775 1.63 . . . . 0.0 112.847 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.15 24.64 11.26 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.882 1.673 . . . . 0.0 111.512 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -6.07 3.63 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -51.7 -33.02 32.44 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.852 1.661 . . . . 0.0 112.933 169.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -84.19 -43.36 15.02 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 118.007 -0.997 . . . . 0.0 112.489 167.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -54.44 -29.17 48.62 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 -173.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -41.83 81.09 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.898 0.772 . . . . 0.0 112.521 172.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -76.32 155.18 34.44 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.079 -1.013 . . . . 0.0 110.738 166.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.2 t 65.54 -13.62 0.13 Allowed 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 116.32 1.97 . . . . 0.0 116.32 -176.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -106.33 -35.4 7.16 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.917 1.235 . . . . 0.0 112.769 168.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -83.61 -32.92 25.47 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.345 -0.847 . . . . 0.0 112.39 177.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -71.24 -37.76 71.98 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 121.06 -1.025 . . . . 0.0 112.308 174.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -75.23 -9.25 58.38 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.739 1.215 . . . . 0.0 113.346 174.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -65.21 -10.99 36.11 Favored 'General case' 0 CA--C 1.55 0.955 0 O-C-N 120.812 -1.18 . . . . 0.0 113.371 167.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -90.04 2.64 54.98 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.949 1.3 . . . . 0.0 113.465 169.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -93.26 16.8 12.32 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.348 1.459 . . . . 0.0 113.968 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.11 60.06 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.899 0 O-C-N 121.166 -0.959 . . . . 0.0 111.564 161.076 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 71.6 p -61.76 143.1 56.77 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 120.852 -1.155 . . . . 0.0 111.235 172.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -99.16 27.61 5.0 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.558 1.143 . . . . 0.0 112.19 -176.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -102.88 9.33 38.91 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.202 1.801 . . . . 0.0 113.102 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -61.32 129.64 42.23 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.362 1.065 . . . . 0.0 111.378 174.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 19.3 m 53.01 -160.95 0.11 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.132 1.373 . . . . 0.0 113.916 -175.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -122.85 34.05 5.24 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 125.711 1.604 . . . . 0.0 111.988 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 3.3 m -146.77 -42.69 0.19 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.882 1.673 . . . . 0.0 113.674 -177.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -72.24 113.99 9.87 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.67 1.188 . . . . 0.0 109.652 178.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.641 0 C-N-CA 126.154 1.782 . . . . 0.0 114.771 -173.497 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.06 79.36 0.14 Allowed Glycine 0 CA--C 1.539 1.57 0 C-N-CA 124.962 1.268 . . . . 0.0 114.732 171.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 61.63 -179.45 0.12 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.337 1.855 . . . . 0.0 113.357 -168.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.3 t -78.55 62.53 3.16 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 123.041 1.401 . . . . 0.0 111.737 175.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 90.0 p -58.03 158.23 7.01 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.826 1.251 . . . . 0.0 112.421 174.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 50.81 74.67 0.22 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.222 1.409 . . . . 0.0 112.167 -167.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.25 95.97 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 127.414 2.285 . . . . 0.0 114.727 -176.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.65 170.51 15.65 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.819 1.248 . . . . 0.0 113.429 -173.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.7 p -134.9 165.75 24.6 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.412 1.885 . . . . 0.0 111.551 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.3 mp0 61.82 161.61 0.07 Allowed 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 126.866 2.066 . . . . 0.0 113.502 -165.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.7 t -151.59 -38.94 0.12 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.802 1.241 . . . . 0.0 113.559 -175.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.15 32.4 4.51 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.899 1.679 . . . . 0.0 111.226 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.4 p -64.16 42.9 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 130.01 3.324 . . . . 0.0 115.683 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 t -148.72 -36.93 0.18 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.755 2.022 . . . . 0.0 112.01 -178.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -157.11 36.83 0.29 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.076 0.95 . . . . 0.0 113.347 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.534 ' CD1' ' HB2' ' A' ' 112' ' ' ALA . 48.9 p90 -51.18 -26.35 6.73 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 120.625 -1.297 . . . . 0.0 114.248 177.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.2 m -54.23 -27.8 37.0 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 175.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.0 p -102.35 -31.04 10.7 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.706 0.685 . . . . 0.0 112.396 170.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.95 -42.12 97.63 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.46 1.027 . . . . 0.0 112.228 176.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.48 ' CE1' ' HA3' ' A' ' 101' ' ' GLY . 0.2 OUTLIER -64.94 -47.86 76.18 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 118.642 0.655 . . . . 0.0 110.511 173.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.43 -20.54 63.78 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.093 -1.004 . . . . 0.0 113.272 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -89.94 -36.73 14.83 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.009 1.324 . . . . 0.0 112.259 171.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.03 -26.86 66.98 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 120.768 -1.208 . . . . 0.0 113.232 171.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.04 -46.24 52.86 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.001 0.92 . . . . 0.0 111.731 162.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 t -58.85 -31.17 68.27 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.207 1.003 . . . . 0.0 113.456 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.6 t -57.06 -38.9 73.93 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 121.384 -0.823 . . . . 0.0 112.521 173.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.7 -35.78 16.56 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.302 1.041 . . . . 0.0 113.31 177.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.497 ' HG ' HG21 ' A' ' 36' ' ' ILE . 2.1 tp -61.2 -42.61 98.89 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.929 1.291 . . . . 0.0 111.495 176.089 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.28 -22.84 65.63 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.672 1.189 . . . . 0.0 113.595 171.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -17.02 62.14 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.911 1.284 . . . . 0.0 113.292 175.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -142.93 88.15 2.03 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.239 1.015 . . . . 0.0 112.331 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.4 t -52.46 -21.09 3.35 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.634 1.574 . . . . 0.0 114.603 177.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.06 -24.14 65.98 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 120.332 -1.48 . . . . 0.0 114.496 173.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.497 HG21 ' HG ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -65.15 -36.32 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 O-C-N 120.819 -1.176 . . . . 0.0 111.046 169.91 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.9 m -69.44 -36.3 76.51 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 120.892 -1.13 . . . . 0.0 112.009 173.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -32.7 69.44 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.063 -1.023 . . . . 0.0 112.312 169.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.545 ' HB2' ' HB1' ' A' ' 130' ' ' ALA . . . -56.62 -49.85 73.74 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.776 0.83 . . . . 0.0 112.413 176.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 89' ' ' ALA . 2.6 p90 -70.22 -35.53 73.94 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 118.697 -0.668 . . . . 0.0 111.611 172.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.92 -23.81 67.49 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 120.183 1.356 . . . . 0.0 114.063 -177.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.4 m -66.18 -3.55 5.88 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.124 1.37 . . . . 0.0 114.646 169.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -142.97 155.65 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 126.516 1.926 . . . . 0.0 111.027 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 64.5 p -146.57 31.79 0.97 Allowed 'General case' 0 N--CA 1.479 0.985 0 O-C-N 120.532 -1.355 . . . . 0.0 113.456 -172.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.9 t -142.33 137.82 30.82 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.503 1.521 . . . . 0.0 110.814 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.3 -43.6 88.17 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -177.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.2 m -72.89 -27.78 62.1 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.208 1.003 . . . . 0.0 113.533 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.36 -30.84 27.12 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.126 -0.984 . . . . 0.0 111.958 173.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.93 -32.86 74.77 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.208 -0.933 . . . . 0.0 112.027 168.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.7 p -65.07 -38.17 89.92 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.275 -0.891 . . . . 0.0 112.338 168.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.1 t -66.88 -35.67 80.55 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.453 1.024 . . . . 0.0 113.534 171.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 22.2 tp -59.7 -59.49 5.35 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.757 0.823 . . . . 0.0 109.938 169.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.43 ' HB1' HD23 ' A' ' 76' ' ' LEU . . . -64.92 -26.13 68.18 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -177.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -61.14 -61.59 2.45 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.86 0.864 . . . . 0.0 110.294 166.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -61.84 -51.13 69.49 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.015 0.926 . . . . 0.0 113.3 -177.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.7 mm -68.64 -36.11 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 124.067 0.947 . . . . 0.0 110.747 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.38 -40.1 91.62 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-N 119.602 1.092 . . . . 0.0 113.306 176.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.44 -48.82 79.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.435 1.094 . . . . 0.0 110.354 171.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.0 t -66.38 -38.38 87.39 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 176.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.98 -51.8 59.73 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.471 1.108 . . . . 0.0 111.484 177.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.52 -49.0 68.51 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.076 0.95 . . . . 0.0 111.513 173.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -57.04 -47.64 80.43 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.63 0.772 . . . . 0.0 112.525 174.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.5 t -57.29 -36.46 71.08 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.351 1.461 . . . . 0.0 112.656 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.524 HD11 ' HA ' ' A' ' 122' ' ' PHE . 8.6 mt -79.9 -33.94 39.48 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.396 1.478 . . . . 0.0 113.016 175.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.73 2.19 19.21 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 126.081 1.8 . . . . 0.0 114.779 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.3 mp -68.17 107.14 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 C-N-CA 125.607 1.563 . . . . 0.0 110.057 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.56 -9.88 55.83 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 173.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.2 t -68.7 -0.82 5.75 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.186 0.994 . . . . 0.0 113.328 166.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.8 p30 -35.12 -51.39 0.54 Allowed 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.4 t -65.13 -42.61 93.7 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.706 1.602 . . . . 0.0 114.228 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.81 -40.86 60.84 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.222 1.009 . . . . 0.0 111.567 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.6 tp -62.3 -42.94 99.79 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 125.045 1.338 . . . . 0.0 111.518 172.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.71 -41.34 70.17 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 120.474 1.488 . . . . 0.0 111.81 175.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -74.34 2.54 44.92 Favored Glycine 0 CA--C 1.545 1.965 0 C-N-CA 125.622 1.582 . . . . 0.0 115.973 172.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -124.38 -34.09 2.95 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.736 1.614 . . . . 0.0 112.807 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.43 HD23 ' HB1' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -62.57 -41.48 98.96 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.74 1.616 . . . . 0.0 110.561 167.8 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.61 -37.04 67.61 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.531 1.133 . . . . 0.0 112.811 171.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -74.28 -27.32 60.68 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.298 1.039 . . . . 0.0 113.124 176.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.7 -57.12 4.03 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.198 0.908 . . . . 0.0 111.619 171.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.405 HG11 ' CB ' ' A' ' 53' ' ' ALA . 6.0 p -67.1 -32.13 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 O-C-N 121.429 -0.794 . . . . 0.0 112.527 -178.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -85.96 -26.25 35.11 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 124.675 1.131 . . . . 0.0 112.748 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -65.24 -25.54 71.17 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 124.226 0.917 . . . . 0.0 113.349 168.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 t -134.19 41.57 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 125.599 1.56 . . . . 0.0 110.833 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -90.15 153.86 23.21 Favored Glycine 0 CA--C 1.536 1.36 0 O-C-N 121.063 -1.023 . . . . 0.0 112.672 178.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 39.03 66.66 0.52 Allowed 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.684 1.994 . . . . 0.0 115.294 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -173.74 -35.55 0.04 OUTLIER Glycine 0 N--CA 1.475 1.256 0 N-CA-C 115.694 1.038 . . . . 0.0 115.694 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.39 -74.85 0.44 Allowed 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.051 0.926 . . . . 0.0 111.952 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.7 t 162.3 172.76 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 128.847 2.859 . . . . 0.0 110.099 -176.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . . . -40.31 -34.33 0.32 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.76 1.624 . . . . 0.0 114.069 157.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -59.13 -45.63 90.45 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.292 0.951 . . . . 0.0 111.576 176.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.71 -37.75 67.7 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 118.004 -0.998 . . . . 0.0 112.634 173.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -63.61 -51.8 63.67 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 120.223 1.374 . . . . 0.0 110.053 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.87 -48.9 74.74 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.389 1.476 . . . . 0.0 113.101 172.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -65.12 -38.93 92.23 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 119.352 0.978 . . . . 0.0 111.954 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.57 -46.32 76.39 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.754 1.161 . . . . 0.0 112.249 175.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 51.5 mt -59.3 -52.69 57.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 126.192 1.797 . . . . 0.0 110.405 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.86 -49.14 66.64 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.493 1.117 . . . . 0.0 112.454 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -58.69 -43.15 89.93 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.313 0.96 . . . . 0.0 111.003 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.36 88.12 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 119.629 1.104 . . . . 0.0 112.797 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.407 ' HB1' ' CG ' ' A' ' 122' ' ' PHE . . . -52.69 -47.77 67.0 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.366 0.666 . . . . 0.0 111.414 172.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.48 ' HA3' ' CE1' ' A' ' 22' ' ' PHE . . . -83.2 -20.26 61.02 Favored Glycine 0 CA--C 1.537 1.422 0 CA-C-O 118.247 -1.307 . . . . 0.0 115.762 177.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -55.72 -45.3 77.97 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 120.348 2.074 . . . . 0.0 109.87 169.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -62.81 -44.68 95.52 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 76.2 mt -59.57 -41.51 90.35 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.505 1.048 . . . . 0.0 112.109 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.17 -38.21 89.84 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.186 1.394 . . . . 0.0 112.13 174.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.2 m -67.65 -43.61 79.88 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.605 1.562 . . . . 0.0 112.799 175.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -72.35 -41.4 66.5 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.418 1.087 . . . . 0.0 112.537 177.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 97.16 21.18 21.12 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 123.863 0.744 . . . . 0.0 114.265 -172.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.01 -31.08 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 118.708 1.254 . . . . 0.0 110.977 163.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 15.7 tp -94.08 122.48 36.64 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.817 1.647 . . . . 0.0 109.548 173.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -131.1 26.19 4.9 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.82 1.248 . . . . 0.0 112.75 -172.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.534 ' HB2' ' CD1' ' A' ' 18' ' ' TYR . . . 60.79 25.65 15.5 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.805 1.642 . . . . 0.0 115.205 -177.022 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -135.62 -27.66 0.43 Allowed Glycine 0 N--CA 1.477 1.372 0 C-N-CA 125.342 1.448 . . . . 0.0 114.221 178.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -114.28 31.78 6.37 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.35 1.86 . . . . 0.0 111.17 171.293 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.51 -54.3 48.44 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.154 1.382 . . . . 0.0 112.867 177.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 52.8 p -69.24 -32.43 71.64 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.29 -54.72 21.51 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.107 0.563 . . . . 0.0 111.614 175.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.55 -51.01 55.82 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.394 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -73.99 -31.91 63.18 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.953 1.252 . . . . 0.0 113.11 -175.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -60.85 -45.68 96.04 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 166.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.4 t -63.49 -42.35 98.53 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.286 1.043 . . . . 0.0 112.294 173.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.524 ' HA ' HD11 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -64.22 -43.38 95.15 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 120.423 1.465 . . . . 0.0 111.891 178.766 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.67 -56.18 25.21 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.732 1.213 . . . . 0.0 111.785 171.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.7 ptt85 -62.15 -28.32 69.57 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 118.698 -0.668 . . . . 0.0 112.243 177.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.98 -38.94 64.0 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 124.384 1.074 . . . . 0.0 111.322 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -40.12 83.61 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 119.105 0.866 . . . . 0.0 111.571 164.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.5 m -62.97 -51.86 65.22 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.943 0.792 . . . . 0.0 111.919 172.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.82 -40.08 94.62 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.707 1.203 . . . . 0.0 112.626 -177.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 95.9 p -68.5 -40.85 80.69 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-O 117.31 -1.328 . . . . 0.0 111.239 171.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.545 ' HB1' ' HB2' ' A' ' 39' ' ' ALA . . . -61.14 -42.0 97.77 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 121.442 1.928 . . . . 0.0 114.042 172.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -57.99 -37.17 73.75 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.285 1.434 . . . . 0.0 111.922 175.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 74.8 m -82.76 -37.74 24.19 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.458 1.103 . . . . 0.0 113.127 173.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -67.35 -15.51 63.72 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.414 1.486 . . . . 0.0 112.317 176.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 35.6 t -49.68 -38.63 33.51 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 120.272 1.396 . . . . 0.0 112.088 162.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -21.04 64.51 Favored 'General case' 0 CA--C 1.551 0.996 0 O-C-N 120.366 -1.459 . . . . 0.0 114.212 172.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -112.6 -16.73 12.77 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 126.089 1.756 . . . . 0.0 113.969 -177.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -103.95 -24.54 13.24 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 127.0 2.12 . . . . 0.0 111.904 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 15.4 m -114.43 21.43 14.6 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.489 1.916 . . . . 0.0 111.407 175.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -63.01 15.3 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.461 1.504 . . . . 0.0 114.74 174.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -50.27 -28.41 7.68 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 126.003 1.721 . . . . 0.0 114.031 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -77.61 -49.43 14.61 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.201 1.401 . . . . 0.0 112.853 168.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -73.64 -22.4 60.0 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -174.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.85 -26.37 37.03 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.313 1.445 . . . . 0.0 113.416 175.251 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -58.83 142.71 49.65 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.069 0.85 . . . . 0.0 111.517 -178.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.5 t 85.85 -32.23 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 128.712 2.805 . . . . 0.0 113.344 -169.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -97.5 -48.5 5.25 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.907 0.883 . . . . 0.0 112.216 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.75 -35.94 67.59 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.61 1.164 . . . . 0.0 112.806 177.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -61.55 -33.77 74.42 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.692 0.678 . . . . 0.0 112.198 178.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -80.43 -15.04 57.74 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.567 1.547 . . . . 0.0 113.353 173.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -100.82 6.5 43.81 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 125.883 1.673 . . . . 0.0 113.039 175.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -64.62 6.42 0.22 Allowed 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 126.341 1.856 . . . . 0.0 114.953 176.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -68.0 -0.31 4.28 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 126.674 1.989 . . . . 0.0 114.486 171.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -108.99 60.44 0.6 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.142 2.177 . . . . 0.0 109.696 175.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 9.5 p -59.47 96.65 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 126.192 1.797 . . . . 0.0 113.084 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -84.61 16.14 3.38 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.468 1.507 . . . . 0.0 114.125 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -68.19 39.52 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 127.158 2.183 . . . . 0.0 114.186 172.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -65.17 171.79 3.48 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 127.286 2.234 . . . . 0.0 112.036 175.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 24.2 m -103.63 -31.89 9.68 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -177.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -93.74 166.23 12.31 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.65 1.18 . . . . 0.0 111.479 171.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 8.2 t 64.43 -48.91 0.31 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 128.304 2.641 . . . . 0.0 115.739 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.18 160.45 30.41 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.365 1.466 . . . . 0.0 112.743 173.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.557 1.215 0 C-N-CA 125.758 1.623 . . . . 0.0 114.302 -174.212 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.3 p . . . . . 0 N--CA 1.471 0.615 0 CA-C-O 121.027 0.441 . . . . 0.0 111.284 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.91 101.09 0.82 Allowed Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.459 1.028 . . . . 0.0 112.02 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.24 159.08 43.6 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.344 1.457 . . . . 0.0 110.79 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.3 t -150.83 140.48 21.68 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.325 1.05 . . . . 0.0 111.397 175.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.5 m -151.71 78.81 1.26 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.672 1.589 . . . . 0.0 110.419 -177.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -145.26 98.57 3.18 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.668 0.787 . . . . 0.0 110.999 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -139.78 145.26 38.0 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.6 1.56 . . . . 0.0 110.841 177.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -155.31 173.68 16.29 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.187 1.795 . . . . 0.0 110.258 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 t -146.0 113.42 6.28 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.645 0.778 . . . . 0.0 110.756 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -158.82 59.8 0.43 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.854 2.062 . . . . 0.0 108.914 -178.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 p -69.96 62.89 0.2 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.562 1.545 . . . . 0.0 112.316 174.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 53.76 40.86 32.01 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 126.991 2.117 . . . . 0.0 114.276 -174.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . 0.322 59.0 p 49.02 48.93 20.23 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.902 2.081 . . . . 0.0 115.637 -178.41 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.5 p -155.05 155.0 33.33 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.831 1.652 . . . . 0.0 112.397 176.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.47 15.41 1.01 Allowed 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 126.185 1.794 . . . . 0.0 115.557 -175.223 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.508 ' CD2' ' HB2' ' A' ' 112' ' ' ALA . 3.2 p90 -56.83 -21.43 29.0 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.376 2.271 . . . . 0.0 114.21 179.268 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.4 t -72.42 -37.18 68.69 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.782 1.233 . . . . 0.0 112.48 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.0 t -83.64 -38.92 20.91 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.957 0.903 . . . . 0.0 111.578 173.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.8 -30.83 71.12 Favored 'General case' 0 CA--C 1.55 0.967 0 O-C-N 121.129 -0.982 . . . . 0.0 113.307 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.534 ' CD2' HD11 ' A' ' 110' ' ' LEU . 12.6 t80 -52.67 -55.42 22.72 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.942 1.297 . . . . 0.0 109.822 162.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.24 -19.95 65.0 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -172.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -78.78 -39.9 34.66 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.426 1.091 . . . . 0.0 113.332 170.296 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.55 -31.64 71.0 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.014 -1.054 . . . . 0.0 112.545 173.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.483 ' HB1' ' HB2' ' A' ' 123' ' ' ALA . . . -52.79 -48.56 66.78 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.172 0.989 . . . . 0.0 110.835 163.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.99 -30.94 38.09 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 175.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.97 -37.93 81.05 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.92 1.236 . . . . 0.0 113.182 175.323 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.67 -32.46 14.73 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.732 0.813 . . . . 0.0 112.733 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.88 -43.33 94.83 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.532 0.733 . . . . 0.0 110.739 171.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.13 -22.06 66.37 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.574 1.149 . . . . 0.0 113.97 173.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.28 -13.7 61.98 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.721 1.208 . . . . 0.0 112.732 172.045 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.5 t -135.18 82.85 1.98 Allowed 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 126.02 1.728 . . . . 0.0 110.085 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.4 t -53.69 -25.47 18.4 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.09 0.956 . . . . 0.0 113.081 175.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.5 -19.48 9.86 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 169.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.5 tp -59.12 -42.06 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-N 120.038 1.29 . . . . 0.0 111.997 168.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.7 t -69.06 -36.75 78.01 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.806 0.843 . . . . 0.0 109.827 175.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -62.54 -28.14 69.65 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.04 -1.038 . . . . 0.0 113.635 173.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.468 ' HB2' ' HB1' ' A' ' 130' ' ' ALA . . . -60.46 -51.65 68.55 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.789 0.836 . . . . 0.0 111.772 171.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -45.04 95.26 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 118.705 -0.664 . . . . 0.0 110.493 172.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.14 -20.28 57.69 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -65.55 -22.99 66.76 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.443 1.497 . . . . 0.0 114.057 173.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.87 158.2 39.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 126.92 2.088 . . . . 0.0 110.565 -179.141 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.16 39.53 1.77 Allowed 'General case' 0 N--CA 1.477 0.903 0 O-C-N 120.687 -1.258 . . . . 0.0 112.222 -174.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 m -144.16 135.73 25.86 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.572 1.549 . . . . 0.0 111.419 -175.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.52 -45.86 84.49 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.474 1.51 . . . . 0.0 113.429 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.31 -36.6 58.23 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.604 0.762 . . . . 0.0 112.022 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.43 -30.95 70.83 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.13 -0.982 . . . . 0.0 112.926 174.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.24 86.66 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.435 -0.79 . . . . 0.0 112.19 169.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -41.99 85.0 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.275 0.63 . . . . 0.0 111.342 168.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.6 m -65.75 -39.88 91.53 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 172.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 22.5 tp -57.2 -54.09 50.71 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 120.102 1.319 . . . . 0.0 110.279 171.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.54 -37.25 85.36 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.153 -0.967 . . . . 0.0 112.775 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -61.53 -50.99 70.46 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.985 1.266 . . . . 0.0 111.265 173.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -62.02 -46.88 87.25 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.268 1.427 . . . . 0.0 112.513 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 26.2 mm -84.38 -36.8 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 124.045 0.938 . . . . 0.0 111.4 -175.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.51 -32.43 68.76 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 125.122 1.344 . . . . 0.0 113.013 172.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 tp -57.2 -50.99 71.11 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 117.734 0.767 . . . . 0.0 111.225 169.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.8 t -70.02 -33.54 72.14 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.236 1.014 . . . . 0.0 113.037 177.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.21 -52.62 61.53 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.314 1.046 . . . . 0.0 111.976 177.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.87 -45.69 82.31 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.415 0.686 . . . . 0.0 110.802 173.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.2 ttt85 -59.62 -40.62 88.18 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.5 t -62.45 -34.83 77.57 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.885 1.674 . . . . 0.0 112.416 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.659 HD21 ' HA ' ' A' ' 122' ' ' PHE . 4.3 mm? -85.87 -12.77 49.86 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.977 1.311 . . . . 0.0 112.449 174.112 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.49 6.26 80.96 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.929 1.728 . . . . 0.0 114.47 -176.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 44.9 mm -68.28 108.02 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 126.514 1.926 . . . . 0.0 109.8 175.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.84 -6.08 35.29 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.332 1.053 . . . . 0.0 113.752 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.9 m -79.84 18.51 0.79 Allowed 'General case' 0 C--O 1.223 -0.342 0 C-N-CA 125.44 1.496 . . . . 0.0 112.47 170.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -43.59 -51.51 6.86 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.63 1.172 . . . . 0.0 112.943 172.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.4 t -64.55 -43.97 92.26 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 177.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.37 -43.41 70.17 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.918 0.887 . . . . 0.0 111.94 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.3 tp -63.92 -45.5 88.95 Favored 'General case' 0 C--O 1.214 -0.77 0 C-N-CA 124.902 1.281 . . . . 0.0 110.865 171.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.3 -34.62 66.67 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 121.29 1.859 . . . . 0.0 111.868 176.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.62 -2.31 68.94 Favored Glycine 0 CA--C 1.545 1.96 0 C-N-CA 125.809 1.671 . . . . 0.0 116.315 170.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.95 -24.79 5.51 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 126.636 1.975 . . . . 0.0 112.885 176.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.503 HD11 ' HA ' ' A' ' 96' ' ' ILE . 12.7 tp -74.25 -41.69 60.88 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 126.983 2.113 . . . . 0.0 109.94 175.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.12 -29.83 23.6 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.837 1.655 . . . . 0.0 113.248 166.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -83.77 -35.55 24.25 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.329 1.052 . . . . 0.0 112.489 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.0 -51.14 27.23 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.697 -0.627 . . . . 0.0 111.272 173.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.6 p -65.24 -38.53 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.304 0.641 . . . . 0.0 111.653 176.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -76.03 -25.79 65.86 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.663 1.125 . . . . 0.0 113.043 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.07 -20.95 60.94 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.25 1.405 . . . . 0.0 113.811 170.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 t -132.25 38.71 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.757 1.623 . . . . 0.0 110.258 174.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.36 89.28 0.08 OUTLIER Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.885 1.231 . . . . 0.0 112.574 176.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 67.07 104.34 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 127.998 2.519 . . . . 0.0 113.403 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 168.13 -21.23 0.09 OUTLIER Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.672 1.13 . . . . 0.0 114.113 -176.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -120.32 -71.77 0.72 Allowed 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 117.461 -1.257 . . . . 0.0 112.243 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.4 t 156.61 -179.54 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 128.819 2.848 . . . . 0.0 110.702 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -43.54 -29.53 0.48 Allowed 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 125.241 1.416 . . . . 0.0 113.599 161.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.7 m -64.02 -37.37 87.16 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 121.343 1.883 . . . . 0.0 113.729 173.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.99 89.43 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 119.098 0.863 . . . . 0.0 111.692 171.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -74.85 -44.98 46.16 Favored 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 123.287 0.635 . . . . 0.0 109.499 -177.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.39 -53.33 59.38 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 126.798 2.039 . . . . 0.0 111.423 173.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.64 -37.64 82.73 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 117.71 -1.138 . . . . 0.0 111.841 177.023 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.56 -48.22 73.15 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-N 120.547 1.521 . . . . 0.0 111.057 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.503 ' HA ' HD11 ' A' ' 76' ' ' LEU . 66.5 mt -59.97 -47.69 90.7 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.424 0 C-N-CA 125.536 1.534 . . . . 0.0 110.112 175.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.15 -38.4 75.48 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.257 0.935 . . . . 0.0 113.483 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -63.43 -56.72 13.91 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 120.692 -1.255 . . . . 0.0 109.465 171.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.481 ' HB3' HD12 ' A' ' 76' ' ' LEU . . . -60.99 -35.14 76.04 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.965 1.257 . . . . 0.0 114.267 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -52.2 -62.78 1.42 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.515 1.126 . . . . 0.0 109.923 166.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.56 -30.04 75.78 Favored Glycine 0 CA--C 1.532 1.119 0 CA-C-O 119.137 -0.813 . . . . 0.0 114.398 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -56.73 -47.47 79.94 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.778 1.631 . . . . 0.0 109.93 175.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -66.15 -41.18 90.76 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.53 -41.21 93.33 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.556 0.742 . . . . 0.0 111.874 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.62 -32.02 73.08 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.468 1.907 . . . . 0.0 112.913 172.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.2 m -74.39 -47.47 33.84 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.42 1.488 . . . . 0.0 112.16 175.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -68.88 -50.57 48.6 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.596 1.158 . . . . 0.0 111.639 177.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 122.99 6.6 7.6 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.634 1.111 . . . . 0.0 114.575 -174.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.65 -39.61 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 CA-C-N 118.86 1.33 . . . . 0.0 110.676 167.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.534 HD11 ' CD2' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -87.69 125.42 34.39 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.218 1.007 . . . . 0.0 109.791 178.469 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -136.41 25.89 3.17 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.988 1.315 . . . . 0.0 111.628 -173.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.508 ' HB2' ' CD2' ' A' ' 18' ' ' TYR . . . 50.96 43.71 28.7 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.473 1.509 . . . . 0.0 114.054 -177.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -153.78 -42.31 0.02 OUTLIER Glycine 0 N--CA 1.474 1.205 0 C-N-CA 124.221 0.915 . . . . 0.0 112.778 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.05 9.95 42.46 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.343 1.457 . . . . 0.0 112.478 168.109 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.31 -52.47 65.49 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.699 1.136 . . . . 0.0 110.954 -178.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.1 t -62.34 -39.4 92.98 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.081 -1.012 . . . . 0.0 113.461 175.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.28 -52.22 65.62 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.428 0.691 . . . . 0.0 111.824 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.51 -30.99 67.9 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 117.542 -1.218 . . . . 0.0 112.281 175.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.51 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . . . -64.78 -52.38 57.22 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 120.389 1.449 . . . . 0.0 112.563 177.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -52.41 -49.6 50.94 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 172.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 34.8 m -59.76 -38.66 82.39 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 173.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.659 ' HA ' HD21 ' A' ' 64' ' ' LEU . 1.2 t80 -66.76 -47.64 71.59 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 121.246 1.839 . . . . 0.0 111.975 178.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.483 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . . . -59.15 -56.52 21.09 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 123.824 0.85 . . . . 0.0 111.243 174.325 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -32.81 68.13 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 119.039 -0.505 . . . . 0.0 111.728 174.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.84 -49.66 67.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 120.198 1.363 . . . . 0.0 111.649 176.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.418 HD13 ' CG2' ' A' ' 96' ' ' ILE . 0.0 OUTLIER -61.95 -36.09 80.38 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.662 0.785 . . . . 0.0 112.347 172.676 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.94 -43.24 79.59 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 118.619 -0.705 . . . . 0.0 111.14 175.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.35 -45.08 77.41 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.458 1.503 . . . . 0.0 112.339 176.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.3 p -62.94 -42.57 99.85 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 117.624 -1.179 . . . . 0.0 111.022 173.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.468 ' HB1' ' HB2' ' A' ' 39' ' ' ALA . . . -64.01 -43.38 95.8 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 120.878 1.672 . . . . 0.0 114.293 172.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -59.47 -44.96 92.9 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.164 1.785 . . . . 0.0 111.467 175.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 69.9 m -72.8 -35.83 67.45 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 123.346 0.658 . . . . 0.0 111.399 174.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -63.03 -17.14 61.9 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 120.108 -1.62 . . . . 0.0 113.291 172.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 46.1 m -57.32 -26.28 60.66 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 120.504 1.502 . . . . 0.0 113.187 163.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -48.48 45.03 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.061 0.944 . . . . 0.0 111.46 167.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.98 -32.07 61.6 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -174.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -70.93 -29.89 66.05 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.688 1.195 . . . . 0.0 112.547 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 66.3 m -120.11 31.19 6.62 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.382 1.873 . . . . 0.0 110.374 -176.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.96 0.68 4.18 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 178.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -46.89 -30.05 2.32 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.782 2.033 . . . . 0.0 113.639 174.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -111.71 -29.67 7.62 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.325 1.05 . . . . 0.0 113.745 171.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -56.87 -28.72 62.14 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.38 1.072 . . . . 0.0 111.883 -176.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -50.84 -27.18 6.84 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 170.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -133.23 37.82 3.35 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.822 1.649 . . . . 0.0 111.547 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.74 -31.58 0.09 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.546 1.138 . . . . 0.0 113.384 176.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -97.56 -44.64 6.73 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 125.36 1.464 . . . . 0.0 111.522 174.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -35.75 73.29 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 118.96 0.8 . . . . 0.0 112.037 176.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -75.8 -28.14 58.22 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 174.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -85.39 -23.45 27.95 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.206 1.002 . . . . 0.0 113.01 176.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -70.12 10.11 0.48 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.038 2.135 . . . . 0.0 113.543 170.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.44 -11.58 11.13 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.185 1.394 . . . . 0.0 114.215 170.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -109.95 24.74 12.63 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.193 1.797 . . . . 0.0 112.708 175.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -69.52 49.95 0.09 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.525 1.53 . . . . 0.0 113.056 167.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 13.9 p -55.62 122.59 11.69 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.489 -1.382 . . . . 0.0 111.545 171.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -83.66 26.18 0.71 Allowed 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 124.903 1.281 . . . . 0.0 112.909 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -88.64 12.95 13.34 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.499 1.92 . . . . 0.0 113.32 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -88.73 148.28 24.05 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.985 1.314 . . . . 0.0 111.67 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 30.3 p -143.44 61.61 1.39 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.309 1.444 . . . . 0.0 111.794 -173.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -134.51 -61.27 0.77 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.373 1.069 . . . . 0.0 112.587 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 20.3 p -164.92 60.36 0.13 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.639 1.176 . . . . 0.0 112.237 -176.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.19 99.47 6.25 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.902 1.281 . . . . 0.0 110.994 -174.306 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.307 0 C-N-CA 127.216 2.206 . . . . 0.0 114.007 -174.639 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.06 71.46 0.04 OUTLIER Glycine 0 N--CA 1.469 0.844 0 O-C-N 120.514 -1.367 . . . . 0.0 113.146 -177.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -146.83 166.14 27.6 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.023 1.329 . . . . 0.0 111.555 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.0 t -74.33 151.96 39.69 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.82 0.848 . . . . 0.0 111.587 172.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.78 140.66 49.17 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.965 1.306 . . . . 0.0 110.669 176.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -102.24 63.27 0.89 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.667 1.187 . . . . 0.0 110.943 -178.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.97 172.58 10.7 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.992 0.917 . . . . 0.0 112.181 171.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.89 -179.41 5.93 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.915 1.686 . . . . 0.0 110.798 177.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -72.11 46.97 0.14 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.894 1.677 . . . . 0.0 113.663 176.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -154.88 137.57 15.23 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.808 2.043 . . . . 0.0 109.994 177.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.96 57.87 0.71 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.592 1.157 . . . . 0.0 109.034 174.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.64 49.67 8.08 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.679 1.992 . . . . 0.0 114.154 -175.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.87 43.48 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 126.945 2.098 . . . . 0.0 116.278 -176.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.01 -37.81 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 128.02 2.528 . . . . 0.0 112.448 -177.036 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.0 p -135.18 29.75 3.34 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.681 1.992 . . . . 0.0 112.289 -176.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -52.35 -21.58 3.71 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 125.793 1.637 . . . . 0.0 114.148 172.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 98.0 p -66.19 -37.14 84.88 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.923 1.238 . . . . 0.0 113.402 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.3 p -90.75 -37.91 13.37 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.365 1.066 . . . . 0.0 111.753 176.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.65 -29.8 70.41 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.746 0.818 . . . . 0.0 113.194 174.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.425 ' CD2' ' HB2' ' A' ' 119' ' ' ALA . 10.6 t80 -53.04 -59.92 3.93 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.997 1.319 . . . . 0.0 109.822 163.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.17 -11.26 28.89 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -172.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.94 -46.98 49.46 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.627 1.571 . . . . 0.0 112.706 169.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.33 -23.78 57.3 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.4 1.08 . . . . 0.0 112.95 174.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.454 ' HB1' ' HB2' ' A' ' 123' ' ' ALA . . . -53.62 -46.55 70.51 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.309 0.644 . . . . 0.0 110.027 164.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.01 -29.7 44.42 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 173.559 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.9 m -60.81 -36.01 77.97 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 120.099 1.318 . . . . 0.0 113.165 176.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.68 -33.98 14.84 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.053 0.941 . . . . 0.0 112.458 176.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.488 ' CD1' ' HB1' ' A' ' 123' ' ' ALA . 0.4 OUTLIER -61.3 -41.34 96.83 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.538 0.735 . . . . 0.0 112.081 173.649 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.83 -21.08 66.45 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.222 1.409 . . . . 0.0 113.556 172.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.63 -14.31 59.99 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.251 1.421 . . . . 0.0 112.435 171.25 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.8 m -141.71 69.9 1.33 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.493 1.517 . . . . 0.0 112.132 -174.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.1 p -54.98 -19.12 6.08 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 175.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.29 -21.46 3.52 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.451 1.5 . . . . 0.0 114.144 167.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -42.74 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 119.319 0.963 . . . . 0.0 112.292 171.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.9 m -67.25 -29.89 69.64 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.928 0.891 . . . . 0.0 110.421 178.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.2 -33.76 76.18 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.576 1.15 . . . . 0.0 113.494 171.192 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.95 -46.89 82.7 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.505 0.593 . . . . 0.0 111.233 175.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -69.76 -28.44 65.78 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 113.04 0.755 . . . . 0.0 113.04 174.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.03 -20.85 64.14 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 119.196 0.907 . . . . 0.0 113.051 171.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.0 t -73.7 -29.44 62.28 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.777 1.231 . . . . 0.0 113.33 176.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -109.86 153.49 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 126.27 1.828 . . . . 0.0 110.97 178.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.13 41.49 1.18 Allowed 'General case' 0 N--CA 1.48 1.064 0 O-C-N 120.595 -1.315 . . . . 0.0 112.614 -175.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 m -144.26 135.96 25.94 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.825 1.65 . . . . 0.0 110.528 -174.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.82 -48.99 79.44 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.107 0.963 . . . . 0.0 113.021 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -36.94 69.58 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.178 0.991 . . . . 0.0 112.484 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.63 -32.56 68.1 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.653 -1.28 . . . . 0.0 112.877 175.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.84 -38.5 89.04 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.373 -0.83 . . . . 0.0 111.495 170.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.63 -39.9 95.29 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.491 0.587 . . . . 0.0 112.289 170.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.1 t -60.83 -46.82 89.06 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 118.344 -0.836 . . . . 0.0 111.841 170.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 tt -60.72 -43.79 97.42 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 120.269 1.395 . . . . 0.0 112.209 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.708 ' HB1' HD23 ' A' ' 76' ' ' LEU . . . -56.92 -40.95 77.29 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 120.948 -1.095 . . . . 0.0 113.22 170.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -64.36 -49.16 72.74 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.302 0.956 . . . . 0.0 111.394 170.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.79 -45.58 85.66 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.88 1.672 . . . . 0.0 112.61 -171.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.415 HG22 HD22 ' A' ' 126' ' ' LEU . 10.0 mm -86.19 -35.93 9.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 125.791 1.636 . . . . 0.0 109.317 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.92 -38.23 88.04 Favored Glycine 0 N--CA 1.477 1.394 0 C-N-CA 125.77 1.652 . . . . 0.0 113.597 172.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.4 -47.5 72.66 Favored 'General case' 0 C--O 1.224 -0.243 0 C-N-CA 123.221 0.608 . . . . 0.0 110.851 167.219 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 t -69.08 -33.9 74.26 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.01 -49.73 75.86 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 121.1 1.773 . . . . 0.0 111.666 173.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.84 -48.3 72.09 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 119.235 -0.412 . . . . 0.0 112.092 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -62.42 -37.13 84.65 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.95 1.3 . . . . 0.0 114.334 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.1 t -59.51 -36.61 76.43 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.066 1.746 . . . . 0.0 112.094 173.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 79.0 mt -88.97 -11.99 42.8 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.052 1.341 . . . . 0.0 113.212 175.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.96 7.37 70.65 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 126.414 1.959 . . . . 0.0 114.756 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 25.9 mm -65.35 107.59 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 126.384 1.874 . . . . 0.0 109.922 176.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.9 -10.77 55.91 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.401 1.08 . . . . 0.0 113.775 175.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.6 m -70.85 2.15 4.63 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-O 117.914 -1.041 . . . . 0.0 112.759 166.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.3 p30 -40.22 -55.61 2.12 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 120.767 1.621 . . . . 0.0 114.572 173.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.8 t -64.74 -41.26 96.06 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.438 1.095 . . . . 0.0 113.449 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.27 -43.19 57.92 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.5 1.12 . . . . 0.0 111.987 -177.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -47.84 76.41 Favored 'General case' 0 C--O 1.216 -0.658 0 C-N-CA 126.737 2.015 . . . . 0.0 109.961 173.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.4 -42.62 61.57 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 120.637 1.562 . . . . 0.0 112.115 171.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -70.88 -2.93 48.83 Favored Glycine 0 CA--C 1.542 1.756 0 C-N-CA 125.722 1.63 . . . . 0.0 116.208 172.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -116.91 -26.76 6.79 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 127.397 2.279 . . . . 0.0 112.533 174.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.708 HD23 ' HB1' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -69.88 -44.84 68.94 Favored 'General case' 0 CA--C 1.523 -0.076 0 C-N-CA 126.502 1.921 . . . . 0.0 110.335 174.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.68 -27.55 28.34 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.08 1.352 . . . . 0.0 112.782 168.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.62 -37.35 50.33 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.789 -1.194 . . . . 0.0 112.247 174.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.37 -51.94 31.95 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.723 0.692 . . . . 0.0 111.754 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.609 HG11 ' HB2' ' A' ' 53' ' ' ALA . 8.0 p -69.06 -35.47 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 O-C-N 121.622 -0.674 . . . . 0.0 111.941 175.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.9 -19.0 79.3 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 124.275 0.941 . . . . 0.0 112.771 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -74.91 -9.29 83.48 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 125.349 1.452 . . . . 0.0 114.217 168.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.4 p -137.13 16.56 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.028 1.331 . . . . 0.0 112.67 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -56.98 111.28 2.68 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 124.792 1.187 . . . . 0.0 112.117 -178.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 56.11 105.77 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.964 2.105 . . . . 0.0 114.637 -169.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 166.84 -43.8 0.26 Allowed Glycine 0 N--CA 1.472 1.034 0 O-C-N 121.371 -0.831 . . . . 0.0 113.558 171.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -89.57 -86.88 0.18 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.992 0.917 . . . . 0.0 110.615 174.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.1 p 167.36 -176.72 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 127.564 2.346 . . . . 0.0 111.47 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.04 -26.87 0.49 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 117.295 -1.336 . . . . 0.0 114.043 162.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.6 p -64.37 -48.02 77.07 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 121.376 1.898 . . . . 0.0 111.503 173.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.08 -32.76 69.49 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 117.881 -1.057 . . . . 0.0 111.926 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 -69.86 -52.56 23.83 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 120.012 1.278 . . . . 0.0 109.223 176.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.7 -41.96 82.77 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.248 1.419 . . . . 0.0 113.672 175.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -71.54 -44.09 65.22 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-O 118.295 -0.859 . . . . 0.0 110.748 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.33 -33.52 74.84 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 120.528 1.513 . . . . 0.0 112.088 174.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 32.3 mt -68.73 -58.86 4.52 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 C-N-CA 126.54 1.936 . . . . 0.0 109.391 173.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.48 -44.21 95.06 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 120.599 1.545 . . . . 0.0 113.021 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.5 ptm85 -62.18 -43.01 99.79 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.871 -1.143 . . . . 0.0 112.262 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.23 -37.9 69.06 Favored 'General case' 0 N--CA 1.46 0.075 0 CA-C-N 119.799 1.181 . . . . 0.0 110.966 176.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.413 ' HB1' ' CD1' ' A' ' 122' ' ' PHE . . . -55.13 -36.06 65.36 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 117.376 -1.297 . . . . 0.0 110.544 174.207 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.424 ' HA3' ' CD1' ' A' ' 22' ' ' PHE . . . -86.91 -27.62 28.32 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 125.349 1.452 . . . . 0.0 115.405 171.152 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.55 -41.62 81.34 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.508 1.654 . . . . 0.0 109.382 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -65.66 -42.59 91.2 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.533 HD21 ' CE2' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -71.33 -36.38 71.53 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.793 -0.567 . . . . 0.0 111.549 178.037 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.09 -31.48 72.69 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.697 1.199 . . . . 0.0 112.992 170.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.2 m -80.75 -48.61 12.27 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.574 1.949 . . . . 0.0 112.042 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -68.97 -46.55 67.84 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.614 1.166 . . . . 0.0 111.886 177.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 114.44 8.33 16.82 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.793 1.187 . . . . 0.0 114.452 -173.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 74.2 t -57.62 -34.1 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 118.865 1.332 . . . . 0.0 110.382 167.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.415 HD11 ' CD2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -79.77 138.31 37.23 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.614 0.766 . . . . 0.0 111.909 171.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -132.84 23.25 4.25 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.408 1.483 . . . . 0.0 112.348 -174.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 49.35 51.54 16.13 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.596 1.159 . . . . 0.0 113.602 -177.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -166.14 -47.39 0.02 OUTLIER Glycine 0 N--CA 1.472 1.089 0 C-N-CA 124.127 0.87 . . . . 0.0 113.109 -176.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.49 12.94 17.08 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.704 1.201 . . . . 0.0 112.401 165.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.09 -56.43 20.91 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 119.953 1.251 . . . . 0.0 110.295 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 36.5 m -66.83 -35.73 80.72 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.67 -51.24 58.32 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.994 0.918 . . . . 0.0 111.759 177.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.08 -27.79 65.93 Favored 'General case' 0 C--O 1.218 -0.592 0 C-N-CA 124.318 1.047 . . . . 0.0 111.382 176.244 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.425 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . . . -72.44 -54.48 9.22 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 119.507 1.049 . . . . 0.0 113.117 178.244 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -52.7 -45.74 60.08 Favored Glycine 0 CA--C 1.527 0.781 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 172.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.9 p -63.49 -41.87 98.56 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 116.954 -1.498 . . . . 0.0 113.399 174.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.533 ' CE2' HD21 ' A' ' 104' ' ' LEU . 0.5 OUTLIER -62.53 -46.39 88.59 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 121.967 2.167 . . . . 0.0 113.72 176.829 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.488 ' HB1' ' CD1' ' A' ' 30' ' ' LEU . . . -57.32 -56.33 23.22 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.445 1.098 . . . . 0.0 111.711 174.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.04 -32.66 72.27 Favored 'General case' 0 C--O 1.21 -0.977 0 CA-C-O 117.166 -1.397 . . . . 0.0 111.618 174.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.49 -37.76 68.34 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 121.246 1.839 . . . . 0.0 111.74 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.415 HD22 HG22 ' A' ' 56' ' ' ILE . 1.8 tm? -66.66 -52.72 41.75 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 124.363 1.065 . . . . 0.0 109.39 171.063 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.9 t -59.05 -34.32 71.79 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-O 118.55 -0.738 . . . . 0.0 112.527 175.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.17 96.74 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 120.931 1.696 . . . . 0.0 111.253 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 36.1 t -62.04 -53.35 56.83 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 118.901 -0.571 . . . . 0.0 110.615 169.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.71 -43.2 72.35 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -59.51 -40.34 86.8 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 128.859 2.864 . . . . 0.0 112.13 175.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.2 m -79.36 -32.27 43.17 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.821 0.848 . . . . 0.0 112.248 173.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -68.83 -27.28 65.7 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.108 1.363 . . . . 0.0 111.277 173.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 45.5 m -60.73 -5.62 1.37 Allowed 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.639 -1.288 . . . . 0.0 113.792 164.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -109.54 -12.9 14.63 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.78 1.632 . . . . 0.0 113.677 171.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -108.41 -22.09 12.46 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.349 1.459 . . . . 0.0 113.657 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -114.85 -23.99 8.88 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.184 2.194 . . . . 0.0 113.066 174.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 11.8 t -126.03 38.03 4.22 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.158 1.383 . . . . 0.0 110.796 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -13.93 0.19 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.366 1.467 . . . . 0.0 114.246 172.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -50.26 -23.09 2.05 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.879 1.271 . . . . 0.0 113.515 163.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -75.27 -24.11 57.54 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.875 1.67 . . . . 0.0 114.079 171.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -78.85 -47.36 16.74 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 120.921 -1.112 . . . . 0.0 111.136 175.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -10.49 58.39 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 173.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -66.77 54.4 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 127.344 2.257 . . . . 0.0 113.865 173.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 42.4 t -164.49 -38.43 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 127.839 2.455 . . . . 0.0 110.721 175.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -102.92 -19.89 14.46 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.908 1.283 . . . . 0.0 113.96 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -107.0 -40.49 5.44 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.189 1.396 . . . . 0.0 112.343 177.226 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -59.2 -29.12 67.25 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 119.304 0.956 . . . . 0.0 112.341 174.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -67.23 -22.39 65.7 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.299 1.44 . . . . 0.0 113.802 175.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -67.53 -26.2 66.21 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 119.403 1.002 . . . . 0.0 112.347 171.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -103.41 22.03 14.95 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.099 1.76 . . . . 0.0 112.605 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -73.7 21.3 0.09 Allowed 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.335 1.454 . . . . 0.0 114.267 174.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -71.9 25.85 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 126.432 1.893 . . . . 0.0 114.199 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.6 179.08 4.17 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.417 1.887 . . . . 0.0 111.519 -177.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -84.06 26.98 0.69 Allowed 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 124.506 1.122 . . . . 0.0 113.416 175.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -80.35 34.95 0.32 Allowed 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.328 1.851 . . . . 0.0 112.908 175.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -56.61 160.51 3.23 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.895 1.278 . . . . 0.0 112.816 175.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 12.2 t -131.96 74.6 1.59 Allowed 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.085 1.354 . . . . 0.0 110.411 -175.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -143.9 -61.47 0.39 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.831 1.252 . . . . 0.0 112.253 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 8.0 m -112.24 -37.06 5.13 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.535 1.134 . . . . 0.0 113.531 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 4.6 tpt85 -60.55 99.85 0.09 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.664 1.585 . . . . 0.0 111.35 175.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.322 0 C-N-CA 126.02 1.728 . . . . 0.0 111.016 -178.829 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.5 p . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.31 59.84 0.01 OUTLIER Glycine 0 CA--C 1.532 1.15 0 C-N-CA 123.598 0.618 . . . . 0.0 114.113 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -137.5 118.13 13.98 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.575 1.15 . . . . 0.0 111.126 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.1 t -145.24 27.15 1.28 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.262 1.425 . . . . 0.0 111.928 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.92 83.74 1.7 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.447 1.499 . . . . 0.0 110.909 -174.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.46 59.3 1.03 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.764 1.626 . . . . 0.0 111.127 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.57 115.27 5.23 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.413 1.485 . . . . 0.0 110.285 173.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.83 98.48 2.74 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.539 1.136 . . . . 0.0 111.677 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.7 p -161.08 147.5 14.78 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.562 1.945 . . . . 0.0 109.684 175.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 44.33 48.33 8.0 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.051 1.741 . . . . 0.0 114.874 -176.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 t -88.15 -55.24 3.83 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.488 -0.757 . . . . 0.0 113.031 -177.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.74 -37.84 85.47 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 t 55.18 112.11 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 128.372 2.669 . . . . 0.0 115.628 178.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.0 t 55.29 177.42 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.014 1.326 . . . . 0.0 112.539 -163.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 t 60.24 -7.11 0.07 Allowed 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 126.817 2.047 . . . . 0.0 115.351 -173.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -54.29 -22.35 11.65 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 126.688 1.995 . . . . 0.0 113.708 171.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.1 p -71.92 -35.07 69.55 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 119.506 1.048 . . . . 0.0 112.37 -174.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 81.7 p -68.71 -41.02 79.68 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.51 0.595 . . . . 0.0 111.186 171.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.22 -39.69 82.29 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.26 1.024 . . . . 0.0 112.884 176.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.449 ' CD2' ' HB2' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -58.56 -60.9 3.08 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.261 1.424 . . . . 0.0 109.342 168.386 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.55 -14.32 60.83 Favored 'General case' 0 CA--C 1.552 1.022 0 O-C-N 119.897 -1.752 . . . . 0.0 113.646 -175.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -82.17 -46.18 14.12 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.15 1.38 . . . . 0.0 113.081 167.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.61 -25.45 67.39 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 120.952 -1.093 . . . . 0.0 113.007 173.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.423 ' HB1' ' HB2' ' A' ' 123' ' ' ALA . . . -51.37 -48.88 62.37 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.427 1.091 . . . . 0.0 111.069 164.322 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.0 t -55.07 -27.69 46.81 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 174.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 t -58.8 -39.08 80.07 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.748 1.158 . . . . 0.0 112.676 175.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.39 -33.72 15.15 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.666 0.786 . . . . 0.0 112.856 175.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.424 HD13 ' HB1' ' A' ' 123' ' ' ALA . 0.4 OUTLIER -62.08 -36.43 81.66 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.385 0.674 . . . . 0.0 112.782 176.052 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.29 -22.37 66.83 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.317 1.447 . . . . 0.0 113.551 171.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -85.6 -6.62 59.14 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.393 1.877 . . . . 0.0 112.354 172.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.79 61.74 1.67 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.279 1.831 . . . . 0.0 111.721 -172.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 t -55.14 -26.65 39.91 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 121.044 -1.035 . . . . 0.0 113.741 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.23 -14.81 7.94 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 170.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.08 -39.95 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 O-C-N 120.382 -1.449 . . . . 0.0 111.842 168.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.1 m -66.14 -29.21 69.47 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 121.685 -0.634 . . . . 0.0 110.608 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.415 ' HA ' ' HB3' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -68.17 -28.6 67.43 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.17 0.988 . . . . 0.0 113.49 171.719 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.07 -49.46 76.84 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.923 0.783 . . . . 0.0 110.262 170.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.34 -37.31 80.38 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.605 0.762 . . . . 0.0 112.555 175.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.415 ' HB3' ' HA ' ' A' ' 38' ' ' ARG . . . -62.26 -22.91 66.37 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.096 -1.002 . . . . 0.0 113.314 175.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 t -73.54 -6.22 45.17 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.237 1.415 . . . . 0.0 113.742 171.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.2 p -147.56 98.51 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.201 1.401 . . . . 0.0 113.277 -174.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.5 p -83.08 31.0 0.44 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.311 1.444 . . . . 0.0 114.823 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 m -140.65 129.6 23.27 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.555 1.542 . . . . 0.0 111.681 -173.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.13 -46.62 89.02 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.284 1.034 . . . . 0.0 113.439 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.53 -34.2 72.01 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.322 0.649 . . . . 0.0 112.078 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.02 -31.87 61.46 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.01 -1.056 . . . . 0.0 112.721 173.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.08 -28.17 69.9 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 120.998 -1.064 . . . . 0.0 112.291 170.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.02 -41.19 97.83 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.445 -0.784 . . . . 0.0 112.493 167.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.7 t -66.01 -35.83 81.63 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.52 0.728 . . . . 0.0 112.492 172.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.1 tp -61.39 -50.73 71.68 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.443 1.02 . . . . 0.0 111.358 171.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.611 ' HB1' HD23 ' A' ' 76' ' ' LEU . . . -61.84 -30.81 71.09 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 176.06 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -61.43 -52.88 62.73 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.847 0.749 . . . . 0.0 110.53 164.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -58.0 -49.01 78.29 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.333 1.453 . . . . 0.0 112.634 -175.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.0 mm -86.07 -35.86 9.78 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 CA-C-O 118.588 -0.72 . . . . 0.0 111.184 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.71 -35.76 92.35 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-N 120.295 1.407 . . . . 0.0 113.423 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.66 -53.2 60.79 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 117.977 0.889 . . . . 0.0 109.956 169.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.9 t -67.51 -28.49 67.87 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.09 -62.6 1.52 Allowed 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 125.131 1.372 . . . . 0.0 109.678 174.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.08 -45.03 42.55 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.658 0.783 . . . . 0.0 111.222 172.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -61.85 -41.47 97.86 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 120.488 -1.382 . . . . 0.0 114.293 174.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.7 m -62.09 -31.62 72.09 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.767 1.627 . . . . 0.0 112.738 175.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.47 HD13 ' CE1' ' A' ' 122' ' ' PHE . 1.3 mt -88.69 -15.07 35.79 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.994 1.317 . . . . 0.0 113.763 173.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.12 20.13 40.09 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 125.864 1.697 . . . . 0.0 114.586 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.6 mm -88.97 112.25 23.87 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 C-N-CA 127.101 2.16 . . . . 0.0 109.751 -174.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.29 -9.4 23.86 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.0 m -67.15 -6.88 19.63 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-O 117.519 -1.229 . . . . 0.0 113.091 167.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.4 p30 -39.86 -54.07 2.2 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 120.994 1.725 . . . . 0.0 115.06 177.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.8 t -63.7 -43.27 97.09 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.157 1.383 . . . . 0.0 113.504 178.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.23 -43.59 60.96 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.2 1.0 . . . . 0.0 111.623 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.3 tp -62.02 -44.28 97.04 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 126.73 2.012 . . . . 0.0 111.188 173.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.95 -35.37 66.6 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 120.713 1.597 . . . . 0.0 111.937 175.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -86.08 5.93 82.76 Favored Glycine 0 CA--C 1.541 1.666 0 C-N-CA 125.252 1.406 . . . . 0.0 115.99 172.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -127.6 -30.09 2.59 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.779 1.789 . . . . 0.0 113.291 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.611 HD23 ' HB1' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -68.89 -39.11 79.93 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 126.574 1.95 . . . . 0.0 110.399 171.69 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.6 -33.03 44.46 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.228 1.411 . . . . 0.0 112.774 167.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -74.98 -29.54 60.93 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.981 -1.075 . . . . 0.0 112.958 174.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.18 -56.15 4.91 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.44 1.018 . . . . 0.0 111.205 174.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.569 HG11 ' CB ' ' A' ' 53' ' ' ALA . 7.9 p -65.66 -31.47 53.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 O-C-N 121.701 -0.624 . . . . 0.0 112.431 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -89.68 -20.03 45.75 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 124.978 1.275 . . . . 0.0 112.725 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.47 -24.05 77.32 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.663 1.125 . . . . 0.0 113.018 167.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 t -137.28 43.96 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.746 1.618 . . . . 0.0 110.948 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -91.4 150.66 20.54 Favored Glycine 0 CA--C 1.537 1.417 0 O-C-N 121.304 -0.873 . . . . 0.0 111.777 175.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 41.12 80.2 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.762 2.025 . . . . 0.0 115.591 -177.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 176.17 -36.3 0.1 OUTLIER Glycine 0 N--CA 1.474 1.204 0 O-C-N 121.728 -0.608 . . . . 0.0 114.313 173.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -90.99 -87.85 0.19 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.25 1.02 . . . . 0.0 110.529 173.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.1 p 170.93 -176.27 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 126.985 2.114 . . . . 0.0 111.202 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.75 -25.23 1.17 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 117.668 -1.158 . . . . 0.0 113.689 161.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.21 -48.77 74.6 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 121.053 1.752 . . . . 0.0 111.525 172.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.63 -36.92 76.57 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 117.693 -1.146 . . . . 0.0 112.389 173.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -66.48 -51.96 51.25 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 120.544 1.52 . . . . 0.0 109.632 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.65 -41.65 95.4 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.594 1.157 . . . . 0.0 113.626 174.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -68.81 -41.91 78.02 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 119.966 1.257 . . . . 0.0 110.867 176.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.17 96.39 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 120.139 1.336 . . . . 0.0 111.903 174.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.5 mt -65.77 -52.99 43.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 126.239 1.816 . . . . 0.0 110.559 175.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.91 -61.7 2.31 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.778 0.831 . . . . 0.0 110.476 176.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -49.02 -40.35 30.66 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 120.216 1.371 . . . . 0.0 112.686 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.42 -39.0 68.21 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 119.219 0.918 . . . . 0.0 112.809 177.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.47 ' HB1' ' CD2' ' A' ' 122' ' ' PHE . . . -53.25 -42.04 66.08 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 117.957 0.344 . . . . 0.0 110.973 168.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.44 ' HA3' ' CE1' ' A' ' 22' ' ' PHE . . . -80.31 -25.3 57.48 Favored Glycine 0 N--CA 1.468 0.799 0 CA-C-O 118.207 -1.33 . . . . 0.0 115.549 175.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -55.14 -44.22 74.88 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 119.686 1.743 . . . . 0.0 110.284 171.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.11 -40.49 74.87 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 176.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.407 HD11 ' CE1' ' A' ' 122' ' ' PHE . 74.8 mt -61.33 -42.53 98.83 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.742 0.701 . . . . 0.0 111.649 177.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.12 -33.84 76.32 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.798 1.639 . . . . 0.0 113.201 173.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.1 m -73.64 -46.43 46.76 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.285 1.434 . . . . 0.0 112.45 176.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -72.4 -40.3 67.29 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.52 1.128 . . . . 0.0 112.344 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 113.63 6.79 21.06 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.426 1.012 . . . . 0.0 114.38 -176.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.8 t -64.65 -36.79 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-N 118.712 1.256 . . . . 0.0 110.701 171.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.38 127.0 34.76 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.191 0.996 . . . . 0.0 110.114 175.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -136.48 36.98 2.7 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.388 1.475 . . . . 0.0 111.666 -173.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 48.99 34.64 5.73 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 125.313 1.445 . . . . 0.0 114.89 176.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -157.85 -46.33 0.01 OUTLIER Glycine 0 N--CA 1.474 1.213 0 C-N-CA 124.509 1.052 . . . . 0.0 113.663 -172.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.06 9.55 27.65 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.209 1.004 . . . . 0.0 112.578 163.328 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.37 -48.6 71.32 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.416 1.086 . . . . 0.0 111.423 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.3 p -71.77 -36.79 70.48 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 176.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.71 -51.43 62.46 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.861 0.864 . . . . 0.0 111.587 178.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -32.44 73.75 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-O 117.571 -1.204 . . . . 0.0 112.136 172.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.449 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . . . -64.72 -53.73 42.57 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 120.629 1.559 . . . . 0.0 113.182 177.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.95 -44.99 72.23 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 109.814 -1.315 . . . . 0.0 109.814 173.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.2 t -60.41 -44.61 95.56 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 174.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.47 ' CE1' HD13 ' A' ' 64' ' ' LEU . 1.2 m-85 -68.12 -42.57 80.02 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 121.017 1.735 . . . . 0.0 114.105 178.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.424 ' HB1' HD13 ' A' ' 30' ' ' LEU . . . -58.67 -55.31 36.68 Favored 'General case' 0 N--CA 1.439 -0.996 0 C-N-CA 125.069 1.348 . . . . 0.0 110.624 172.323 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -34.3 74.93 Favored 'General case' 0 C--O 1.211 -0.963 0 CA-C-O 117.967 -1.016 . . . . 0.0 112.392 173.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.11 -46.45 42.65 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 121.515 1.961 . . . . 0.0 111.717 -177.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.1 tt -65.06 -45.11 86.67 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.657 0.783 . . . . 0.0 109.897 173.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 35.1 p -68.14 -40.95 82.31 Favored 'General case' 0 C--O 1.222 -0.35 0 O-C-N 120.62 -1.3 . . . . 0.0 113.955 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.431 ' HA ' ' HB2' ' A' ' 131' ' ' GLU . . . -65.39 -39.85 92.75 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.582 1.553 . . . . 0.0 111.971 174.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 33.5 t -57.7 -54.07 51.0 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.574 0.75 . . . . 0.0 110.302 172.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.04 -26.54 68.6 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 172.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.431 ' HB2' ' HA ' ' A' ' 128' ' ' ALA . 0.9 OUTLIER -65.19 -48.72 72.45 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 121.358 1.89 . . . . 0.0 110.809 176.023 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 31.4 m -71.71 -41.74 68.2 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.971 0.908 . . . . 0.0 111.468 177.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -37.54 80.1 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 117.582 -1.199 . . . . 0.0 112.577 175.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.8 m -56.29 -35.12 67.13 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 121.374 1.897 . . . . 0.0 111.197 172.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -67.26 -25.33 66.01 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 173.207 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -97.55 -25.25 15.22 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.982 1.313 . . . . 0.0 113.45 177.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 29.3 tp60 -89.66 -33.34 16.67 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 127.378 2.271 . . . . 0.0 112.373 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.7 p -113.66 27.63 9.4 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.405 1.482 . . . . 0.0 112.091 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -6.44 0.18 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.096 1.359 . . . . 0.0 114.226 168.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -49.12 -26.45 2.76 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 120.346 -1.471 . . . . 0.0 113.322 167.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -64.88 -27.87 69.16 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.194 1.398 . . . . 0.0 114.53 170.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -69.86 -40.96 75.44 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.315 1.046 . . . . 0.0 112.168 177.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -86.63 -6.92 58.73 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.787 0.835 . . . . 0.0 113.205 175.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -76.52 -159.95 0.14 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 125.404 1.482 . . . . 0.0 112.183 169.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.4 t 68.05 -41.15 0.44 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 128.193 2.597 . . . . 0.0 114.66 -174.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -96.51 -34.34 11.51 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.378 1.471 . . . . 0.0 112.412 170.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.2 -40.64 23.54 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.329 1.052 . . . . 0.0 112.482 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -66.74 -32.22 73.38 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.583 -0.698 . . . . 0.0 112.035 175.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -70.82 -22.54 62.33 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.702 1.201 . . . . 0.0 113.577 174.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -62.7 -27.7 69.43 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.543 1.065 . . . . 0.0 112.717 172.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -105.73 16.45 25.27 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.737 1.615 . . . . 0.0 113.043 175.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -74.84 41.36 0.16 Allowed 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.831 1.253 . . . . 0.0 112.891 170.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -58.33 -29.69 66.13 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.46 1.104 . . . . 0.0 112.287 169.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 27.1 t -75.13 141.6 43.7 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.941 1.296 . . . . 0.0 111.504 172.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -94.23 15.2 17.96 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.752 1.221 . . . . 0.0 112.929 174.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -72.31 43.07 0.1 Allowed 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 126.392 1.877 . . . . 0.0 113.681 172.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -59.63 175.58 0.34 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.185 1.394 . . . . 0.0 112.728 169.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 4.1 m -46.71 149.26 0.85 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.876 1.27 . . . . 0.0 113.742 172.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -49.92 99.67 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.293 1.837 . . . . 0.0 113.297 -176.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 47.9 t -167.96 -46.94 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.524 1.53 . . . . 0.0 111.835 -174.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -64.36 107.44 1.34 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.374 1.47 . . . . 0.0 111.047 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.503 0 C-N-CA 125.721 1.609 . . . . 0.0 112.389 -170.934 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 N--CA 1.47 0.539 0 CA-C-O 121.036 0.446 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.05 170.03 36.07 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 125.569 1.556 . . . . 0.0 112.149 175.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -147.12 107.17 4.0 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.567 1.147 . . . . 0.0 110.119 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.3 p -92.37 140.99 29.03 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.641 1.176 . . . . 0.0 110.336 176.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 84.5 p -66.35 162.62 19.91 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.642 -0.661 . . . . 0.0 111.894 173.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -125.21 -53.44 1.61 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.005 0.922 . . . . 0.0 112.028 175.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 56.83 132.65 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 127.586 2.355 . . . . 0.0 115.139 -172.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.67 171.71 16.46 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.322 1.449 . . . . 0.0 111.492 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.3 p -80.26 170.4 16.46 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.944 1.298 . . . . 0.0 112.292 166.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 45.17 65.82 1.03 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 126.365 1.866 . . . . 0.0 114.846 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 86.3 p -75.44 -32.54 60.71 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.221 -0.924 . . . . 0.0 113.292 174.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -160.83 46.45 0.21 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.311 1.044 . . . . 0.0 113.691 -171.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.38 40.17 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 126.61 1.964 . . . . 0.0 115.594 -176.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.66 -34.65 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 127.909 2.483 . . . . 0.0 113.216 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -145.76 41.07 1.2 Allowed 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 122.772 1.273 . . . . 0.0 112.142 -175.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -51.44 -27.23 9.69 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.352 1.061 . . . . 0.0 113.622 174.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.0 m -57.72 -27.48 62.99 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.265 1.426 . . . . 0.0 114.656 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.9 p -100.84 -32.2 10.79 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.695 0.798 . . . . 0.0 112.535 171.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.25 -43.6 97.55 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.724 1.147 . . . . 0.0 112.739 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.507 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 0.1 OUTLIER -62.69 -48.71 78.12 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 172.015 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.95 -24.68 67.59 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 121.208 -0.932 . . . . 0.0 113.026 -177.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -71.96 -44.19 63.95 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.339 1.456 . . . . 0.0 111.979 170.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.26 -30.6 68.76 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.243 -0.911 . . . . 0.0 112.813 173.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.419 ' HB1' ' HB2' ' A' ' 123' ' ' ALA . . . -56.51 -49.58 74.3 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.221 1.008 . . . . 0.0 111.082 166.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.1 m -56.15 -32.21 64.07 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 174.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -60.19 -35.06 74.53 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 120.161 1.346 . . . . 0.0 112.905 173.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.87 -35.91 16.27 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.224 1.01 . . . . 0.0 112.91 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.47 ' CD2' ' HB1' ' A' ' 93' ' ' ALA . 0.5 OUTLIER -62.41 -46.58 87.94 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.153 0.981 . . . . 0.0 111.756 173.712 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.93 -24.52 66.09 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.129 0.972 . . . . 0.0 113.193 175.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.26 -19.24 64.71 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.359 1.464 . . . . 0.0 113.0 170.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.27 70.66 1.47 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.315 1.446 . . . . 0.0 110.553 -176.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.0 p -50.05 -23.05 1.85 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.95 1.3 . . . . 0.0 114.281 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.99 -19.18 6.23 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 125.694 1.597 . . . . 0.0 114.9 169.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -39.91 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 O-C-N 120.659 -1.276 . . . . 0.0 112.413 167.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.4 t -68.88 -35.04 76.41 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.551 0.74 . . . . 0.0 110.432 176.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -34.66 70.87 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.267 -0.896 . . . . 0.0 113.273 171.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.43 -48.07 74.05 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.876 0.47 . . . . 0.0 111.933 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -34.65 78.94 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 118.49 0.586 . . . . 0.0 111.85 170.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.06 -23.31 65.36 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.807 -1.183 . . . . 0.0 113.76 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.86 -1.96 41.41 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.264 1.426 . . . . 0.0 114.025 171.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 65.7 t -136.81 94.51 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 126.822 2.049 . . . . 0.0 110.67 -168.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 t -102.29 38.13 1.74 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.019 1.328 . . . . 0.0 112.742 -173.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.42 140.28 26.19 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.598 1.559 . . . . 0.0 111.624 -176.003 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.34 -52.55 64.77 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.532 1.133 . . . . 0.0 113.339 -177.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.1 m -72.09 -26.44 62.15 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.206 1.002 . . . . 0.0 113.063 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.61 -34.58 60.59 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.017 -1.052 . . . . 0.0 111.917 172.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.94 -38.53 88.86 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.381 0.992 . . . . 0.0 111.306 172.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.6 p -66.86 -36.1 81.54 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.722 -0.611 . . . . 0.0 112.444 170.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.1 t -64.64 -40.01 94.71 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.228 1.011 . . . . 0.0 113.021 170.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.5 tt -56.95 -51.55 68.74 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.244 0.929 . . . . 0.0 109.375 169.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.11 -30.96 66.7 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 175.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.41 -54.69 21.38 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 120.887 -1.133 . . . . 0.0 111.862 171.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -71.18 -46.01 62.25 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.392 1.477 . . . . 0.0 112.4 -172.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.3 mm -71.41 -39.79 71.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 124.948 1.299 . . . . 0.0 110.644 174.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.38 -37.35 81.14 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-N 119.724 1.147 . . . . 0.0 112.455 175.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.37 -51.39 68.5 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.694 0.797 . . . . 0.0 111.95 170.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.9 t -69.23 -36.36 77.11 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.537 1.135 . . . . 0.0 113.156 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.31 -49.5 66.82 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.921 1.288 . . . . 0.0 111.402 178.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.79 91.37 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.148 0.579 . . . . 0.0 111.651 173.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -56.76 -44.37 81.72 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.813 0.845 . . . . 0.0 112.402 172.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.9 t -60.33 -35.1 74.86 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.329 1.452 . . . . 0.0 112.604 178.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.417 HD21 ' HA ' ' A' ' 122' ' ' PHE . 4.5 mm? -85.7 -10.52 55.52 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.835 1.254 . . . . 0.0 113.439 173.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.02 8.22 87.67 Favored Glycine 0 CA--C 1.543 1.808 0 C-N-CA 125.609 1.576 . . . . 0.0 114.6 -174.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.8 mm -70.24 109.27 2.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 126.716 2.006 . . . . 0.0 109.649 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.14 -10.78 53.72 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 m -68.31 8.37 0.46 Allowed 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 125.657 1.583 . . . . 0.0 113.485 170.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -39.47 -58.38 1.27 Allowed 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 121.063 1.756 . . . . 0.0 114.372 176.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.5 t -65.59 -40.85 93.15 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.9 -43.81 67.57 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.94 0.896 . . . . 0.0 112.548 -177.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.9 tp -64.86 -48.14 75.36 Favored 'General case' 0 C--O 1.216 -0.689 0 C-N-CA 125.809 1.643 . . . . 0.0 110.407 171.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.38 -41.68 72.97 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 120.557 1.526 . . . . 0.0 111.792 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -69.69 -1.21 29.54 Favored Glycine 0 CA--C 1.542 1.724 0 C-N-CA 126.406 1.955 . . . . 0.0 116.308 171.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -121.6 -27.55 4.72 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.282 1.833 . . . . 0.0 112.417 175.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.529 HD11 ' HA ' ' A' ' 96' ' ' ILE . 14.5 tp -74.28 -41.01 61.92 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 127.049 2.14 . . . . 0.0 110.4 176.333 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.66 -21.21 66.68 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 169.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -81.02 -39.15 26.3 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 120.863 -1.148 . . . . 0.0 111.602 172.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.36 -57.88 9.69 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 118.802 0.728 . . . . 0.0 111.344 169.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 56.4 t -67.69 -39.82 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 125.97 1.708 . . . . 0.0 112.467 -177.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.29 -27.29 73.48 Favored Glycine 0 CA--C 1.535 1.309 0 O-C-N 121.243 -0.911 . . . . 0.0 113.255 175.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -78.04 -3.72 85.15 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.968 1.27 . . . . 0.0 114.395 169.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.2 p -143.08 49.89 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.932 1.693 . . . . 0.0 110.364 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.82 124.68 8.24 Favored Glycine 0 CA--C 1.534 1.251 0 O-C-N 120.546 -1.346 . . . . 0.0 111.932 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 52.47 97.76 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 127.524 2.33 . . . . 0.0 115.134 -174.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 153.08 -27.64 0.8 Allowed Glycine 0 N--CA 1.471 0.978 0 C-N-CA 124.176 0.894 . . . . 0.0 113.897 172.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.99 -80.38 0.29 Allowed 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 118.356 -0.83 . . . . 0.0 111.441 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.7 t 153.66 162.46 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 129.342 3.057 . . . . 0.0 110.745 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.45 -27.87 1.91 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 117.409 -1.282 . . . . 0.0 113.57 163.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 38.3 m -59.19 -55.84 29.77 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 120.889 1.677 . . . . 0.0 111.834 169.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.62 -36.32 83.37 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.398 -0.814 . . . . 0.0 112.397 176.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -66.16 -53.0 42.89 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 119.328 0.967 . . . . 0.0 109.918 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.47 ' HB1' ' CD2' ' A' ' 30' ' ' LEU . . . -56.17 -48.36 76.49 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 125.262 1.425 . . . . 0.0 113.058 174.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.48 -49.92 73.46 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 118.056 -0.974 . . . . 0.0 110.231 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.99 -36.12 82.94 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 120.087 1.312 . . . . 0.0 112.89 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.529 ' HA ' HD11 ' A' ' 76' ' ' LEU . 36.7 mt -63.29 -54.07 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.078 1.351 . . . . 0.0 109.939 175.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.73 -52.41 65.23 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.024 0.529 . . . . 0.0 110.946 175.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 18.3 mtt-85 -48.0 -54.59 12.42 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.519 1.528 . . . . 0.0 111.338 175.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.42 -35.81 82.06 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.468 1.031 . . . . 0.0 113.373 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.98 -54.64 36.25 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.089 0.956 . . . . 0.0 111.209 173.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.507 ' HA3' ' CZ ' ' A' ' 22' ' ' PHE . . . -85.49 -18.66 59.92 Favored Glycine 0 CA--C 1.536 1.387 0 CA-C-O 118.307 -1.274 . . . . 0.0 115.322 -179.468 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -53.93 -44.63 70.78 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.401 2.101 . . . . 0.0 110.171 163.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -65.01 -42.3 94.58 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 122.105 -0.372 . . . . 0.0 111.859 175.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 66.9 mt -62.75 -39.04 92.92 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.593 -0.692 . . . . 0.0 112.716 178.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.15 -35.01 78.79 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.893 1.277 . . . . 0.0 112.805 172.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 m -69.25 -44.3 72.23 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.002 1.321 . . . . 0.0 112.373 174.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -74.69 -41.5 60.13 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.07 0.948 . . . . 0.0 113.036 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 116.18 4.99 17.77 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.554 1.073 . . . . 0.0 114.814 -176.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.66 -37.3 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 118.549 1.175 . . . . 0.0 110.837 168.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.89 117.95 30.99 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.35 1.06 . . . . 0.0 109.833 -177.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -129.4 28.53 5.2 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.807 1.643 . . . . 0.0 112.263 -169.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 56.74 26.74 11.76 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -147.58 -42.45 0.04 OUTLIER Glycine 0 N--CA 1.476 1.306 0 C-N-CA 124.784 1.183 . . . . 0.0 113.358 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.82 8.88 37.6 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.536 1.134 . . . . 0.0 112.706 165.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.92 -56.8 17.26 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.081 0.855 . . . . 0.0 111.245 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.4 m -62.38 -35.53 79.47 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 177.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.74 -54.21 30.32 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.822 0.849 . . . . 0.0 111.564 178.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.23 -31.78 70.58 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.515 178.198 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.05 -47.97 69.72 Favored 'General case' 0 C--O 1.224 -0.243 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 175.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.37 -46.0 64.77 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 171.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 39.8 m -64.6 -42.46 95.55 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 172.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.417 ' HA ' HD21 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -67.05 -43.25 83.17 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 121.635 2.016 . . . . 0.0 111.141 -179.612 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.419 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . . . -60.89 -58.49 8.21 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.32 1.448 . . . . 0.0 111.181 173.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.08 -34.02 67.88 Favored 'General case' 0 C--O 1.21 -1.025 0 CA-C-O 116.952 -1.499 . . . . 0.0 111.693 174.134 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.95 -39.82 63.49 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 121.302 1.864 . . . . 0.0 112.639 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.0 tt -68.1 -41.52 81.68 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.742 1.155 . . . . 0.0 110.006 174.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 68.2 m -60.5 -52.05 66.83 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.264 1.026 . . . . 0.0 113.32 169.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.62 -40.98 89.05 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 126.005 1.722 . . . . 0.0 110.883 -177.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 56.7 m -64.33 -42.32 96.35 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.986 170.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.73 -45.1 87.93 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 120.982 1.719 . . . . 0.0 113.719 177.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.05 -29.54 60.77 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.193 -0.942 . . . . 0.0 112.773 176.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 67.8 m -79.06 -17.03 55.95 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.085 -1.009 . . . . 0.0 113.256 168.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -65.6 -23.02 66.73 Favored 'General case' 0 C--O 1.22 -0.496 0 O-C-N 120.258 -1.526 . . . . 0.0 110.908 169.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.6 t -54.03 -38.09 64.79 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 120.81 1.641 . . . . 0.0 112.478 163.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -67.57 -28.7 68.0 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.061 -1.65 . . . . 0.0 113.985 172.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -96.02 -18.98 19.82 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -106.83 -34.4 7.26 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 127.751 2.42 . . . . 0.0 111.649 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.52 30.9 5.02 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 126.096 1.758 . . . . 0.0 110.567 174.178 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -57.58 -7.44 0.65 Allowed 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.069 -1.019 . . . . 0.0 113.219 174.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -44.59 -26.95 0.42 Allowed 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 170.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -97.43 -43.58 7.22 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.608 1.095 . . . . 0.0 113.284 170.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -25.79 66.28 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.232 1.013 . . . . 0.0 112.644 -178.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -67.9 -33.48 74.79 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.277 1.431 . . . . 0.0 112.87 176.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -75.58 33.66 0.11 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.43 1.492 . . . . 0.0 113.09 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.3 t -158.34 -44.99 0.06 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.932 2.093 . . . . 0.0 110.939 175.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -96.4 -31.16 12.98 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -91.18 -33.58 15.35 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.003 1.321 . . . . 0.0 111.537 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -59.7 -35.0 73.62 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.454 0.701 . . . . 0.0 112.849 171.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -81.61 -23.71 36.87 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.866 1.266 . . . . 0.0 112.603 175.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -87.53 8.09 26.58 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.009 1.324 . . . . 0.0 113.445 172.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -66.59 21.55 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 126.348 1.859 . . . . 0.0 114.798 175.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -95.96 8.65 43.08 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 127.645 2.378 . . . . 0.0 112.811 175.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -115.07 21.88 13.86 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.474 1.909 . . . . 0.0 112.833 -173.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 36.6 m -23.59 88.23 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 130.083 3.353 . . . . 0.0 116.161 -172.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -96.29 49.08 1.11 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.744 1.617 . . . . 0.0 111.225 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -99.69 32.56 2.81 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 126.583 1.953 . . . . 0.0 111.542 174.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -55.29 167.09 0.49 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.732 1.613 . . . . 0.0 113.414 172.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.02 -31.94 7.2 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -175.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.07 -71.46 0.2 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.13 0.972 . . . . 0.0 112.991 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 16.2 t -173.81 160.84 3.71 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.833 2.053 . . . . 0.0 110.644 173.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -159.12 116.43 2.74 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.492 1.917 . . . . 0.0 109.965 175.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.332 0 C-N-CA 126.208 1.803 . . . . 0.0 112.323 179.039 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.23 18.72 2.3 Favored Glycine 0 CA--C 1.541 1.71 0 C-N-CA 125.305 1.431 . . . . 0.0 114.534 -176.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.31 120.07 8.1 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.338 1.055 . . . . 0.0 111.608 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.2 t -159.84 47.43 0.27 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.632 1.173 . . . . 0.0 112.765 -176.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 55.2 m -140.06 133.83 30.52 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.734 1.213 . . . . 0.0 112.735 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -154.73 -46.4 0.09 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.307 1.443 . . . . 0.0 113.103 169.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 52.97 99.3 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 127.187 2.195 . . . . 0.0 115.603 -172.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.78 90.91 3.45 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.167 1.387 . . . . 0.0 111.916 -174.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.7 t -155.62 163.28 40.14 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.175 1.39 . . . . 0.0 111.91 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -152.88 162.62 41.07 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.647 1.579 . . . . 0.0 111.731 170.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.5 m 54.21 12.8 0.52 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.925 2.09 . . . . 0.0 115.292 -175.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -153.97 8.55 0.36 Allowed 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.261 1.424 . . . . 0.0 114.029 -171.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.2 m -69.89 48.35 0.09 Allowed 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 175.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.06 151.03 7.33 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 120.331 -1.481 . . . . 0.0 111.952 178.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.0 m 55.78 34.16 22.87 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 -163.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -56.3 -22.14 28.56 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 175.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.8 p -58.49 -38.77 78.35 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.495 1.043 . . . . 0.0 112.675 -175.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.3 m -87.18 -36.38 18.05 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.948 0.899 . . . . 0.0 113.311 171.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.17 -34.7 79.0 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.532 1.06 . . . . 0.0 112.925 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -54.56 -57.73 10.27 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.602 1.161 . . . . 0.0 110.161 163.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.36 -18.24 63.46 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -177.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -79.48 -42.61 24.9 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.467 1.507 . . . . 0.0 112.996 169.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.59 -19.61 60.25 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.429 1.092 . . . . 0.0 113.848 174.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.49 -46.2 76.96 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 120.275 -1.516 . . . . 0.0 111.29 164.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.27 -28.42 53.28 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.117 1.367 . . . . 0.0 114.554 173.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.9 m -59.56 -31.28 69.29 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.57 1.077 . . . . 0.0 113.625 175.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.64 -29.3 10.2 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.155 0.982 . . . . 0.0 113.069 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.644 HD23 ' HB1' ' A' ' 123' ' ' ALA . 0.2 OUTLIER -61.33 -43.7 98.43 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.014 1.326 . . . . 0.0 113.319 170.295 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.42 -25.12 66.61 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 172.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.91 -16.74 62.69 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.777 1.631 . . . . 0.0 113.596 170.107 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.8 m -126.21 69.99 1.23 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.005 1.722 . . . . 0.0 112.08 -172.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.6 t -52.89 -25.12 10.71 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 -178.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.92 -16.13 16.2 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 170.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.603 HG21 HD13 ' A' ' 30' ' ' LEU . 0.8 OUTLIER -61.46 -34.44 61.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 120.546 1.521 . . . . 0.0 112.26 166.072 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.1 m -67.65 -33.33 74.74 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 120.743 -1.223 . . . . 0.0 111.232 173.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -66.36 -24.67 66.54 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 120.652 -1.28 . . . . 0.0 113.207 171.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.418 ' HB2' ' HB1' ' A' ' 130' ' ' ALA . . . -58.78 -51.62 69.2 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.718 0.807 . . . . 0.0 112.252 172.358 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.579 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 3.8 p90 -71.84 -35.28 69.83 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.778 0.717 . . . . 0.0 112.799 173.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.91 -25.93 68.55 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 119.502 1.046 . . . . 0.0 112.829 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.3 t -62.04 -22.17 65.52 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.719 1.608 . . . . 0.0 114.199 169.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.3 p -143.15 91.42 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.302 1.441 . . . . 0.0 112.523 -168.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 t -80.33 38.58 0.43 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.976 1.71 . . . . 0.0 114.397 -176.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m -145.67 128.93 16.75 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.787 1.635 . . . . 0.0 111.727 -175.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.45 -47.03 87.04 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.471 1.108 . . . . 0.0 113.797 -177.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.7 m -66.09 -37.19 85.16 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.789 0.836 . . . . 0.0 112.51 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.07 -25.58 47.73 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 176.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.67 -33.26 75.47 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 120.906 -1.121 . . . . 0.0 111.997 165.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -43.87 87.51 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.143 -0.973 . . . . 0.0 111.769 165.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.4 m -63.05 -38.43 91.16 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 172.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.1 tp -57.97 -52.73 64.29 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.468 1.031 . . . . 0.0 110.945 171.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.61 -38.4 84.57 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 119.298 0.954 . . . . 0.0 112.958 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -57.79 -48.56 79.35 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 119.26 0.937 . . . . 0.0 111.598 169.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.73 -54.61 32.68 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.376 1.07 . . . . 0.0 112.864 -178.075 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.6 mm -78.09 -32.59 17.36 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 124.022 0.929 . . . . 0.0 111.158 -176.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.38 -37.38 94.73 Favored Glycine 0 N--CA 1.469 0.882 0 C-N-CA 124.133 0.873 . . . . 0.0 113.884 175.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 tp -55.14 -47.39 75.15 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.372 0.669 . . . . 0.0 111.149 170.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.2 t -73.67 -34.57 64.97 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.766 1.226 . . . . 0.0 113.972 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.27 -53.19 52.96 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.095 0.862 . . . . 0.0 112.2 176.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.89 -49.12 74.29 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 124.544 1.138 . . . . 0.0 110.381 171.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -59.03 -41.68 88.36 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.957 1.253 . . . . 0.0 114.026 175.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.1 t -62.03 -36.76 82.56 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.167 1.387 . . . . 0.0 112.533 176.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.45 -9.25 59.76 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.675 1.19 . . . . 0.0 113.893 171.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.89 10.27 72.61 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.796 1.665 . . . . 0.0 114.826 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.5 mm -84.78 107.5 15.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 125.572 1.549 . . . . 0.0 110.291 -173.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.0 -8.86 17.7 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.6 p -68.26 -0.41 4.71 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.676 1.362 . . . . 0.0 114.676 169.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -31.62 -56.22 0.27 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.791 2.036 . . . . 0.0 114.49 177.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.3 t -60.44 -43.72 96.54 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.745 2.018 . . . . 0.0 114.41 175.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.57 -44.96 63.56 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.167 1.387 . . . . 0.0 111.791 178.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.3 tp -64.7 -43.22 94.18 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 124.291 1.036 . . . . 0.0 111.129 175.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.06 -28.45 62.58 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 120.288 1.404 . . . . 0.0 113.094 174.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -83.55 3.34 85.37 Favored Glycine 0 CA--C 1.542 1.742 0 C-N-CA 125.921 1.724 . . . . 0.0 116.084 171.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.51 -28.78 3.0 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.124 1.769 . . . . 0.0 112.995 177.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.675 HD12 ' HB3' ' A' ' 99' ' ' ALA . 12.0 tp -69.54 -41.52 75.84 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 126.734 2.013 . . . . 0.0 111.207 173.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.57 -37.16 70.18 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.475 1.11 . . . . 0.0 113.184 168.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -70.61 -24.34 62.72 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 174.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.94 -54.73 4.85 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.264 -0.897 . . . . 0.0 111.933 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.74 -33.98 67.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 121.233 -0.917 . . . . 0.0 112.066 174.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -82.24 -22.11 59.5 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.001 0.81 . . . . 0.0 114.248 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.7 -25.94 72.95 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 123.856 0.741 . . . . 0.0 113.511 171.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.8 t -134.76 31.3 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 125.647 1.579 . . . . 0.0 111.32 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.91 137.93 29.12 Favored Glycine 0 CA--C 1.534 1.246 0 O-C-N 120.804 -1.185 . . . . 0.0 111.619 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 43.05 77.31 0.06 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.402 1.881 . . . . 0.0 115.3 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -172.45 -33.45 0.03 OUTLIER Glycine 0 CA--C 1.534 1.222 0 N-CA-C 115.4 0.92 . . . . 0.0 115.4 173.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -98.31 -70.38 0.73 Allowed 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.696 1.248 . . . . 0.0 111.756 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.0 t 157.19 179.48 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 129.586 3.154 . . . . 0.0 110.667 -177.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.579 ' HB2' ' HE2' ' A' ' 40' ' ' PHE . . . -40.45 -36.49 0.57 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 127.483 2.313 . . . . 0.0 113.964 161.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.3 t -53.46 -55.24 26.92 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 124.32 1.048 . . . . 0.0 111.469 173.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.7 -43.08 94.62 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 119.371 0.987 . . . . 0.0 112.548 176.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -62.75 -50.03 72.67 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 119.558 1.072 . . . . 0.0 110.238 -178.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.3 86.7 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.729 1.212 . . . . 0.0 113.528 174.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -64.4 -42.31 96.16 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 118.782 0.719 . . . . 0.0 111.363 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.61 -41.88 75.11 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.431 1.092 . . . . 0.0 112.225 177.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 42.4 mt -58.8 -51.08 76.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 124.088 0.955 . . . . 0.0 110.612 171.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.16 -35.36 80.86 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.964 0.905 . . . . 0.0 113.011 177.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -62.69 -52.85 61.67 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-O 117.373 -1.299 . . . . 0.0 111.643 171.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.675 ' HB3' HD12 ' A' ' 76' ' ' LEU . . . -68.94 -37.44 78.87 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 121.002 1.728 . . . . 0.0 113.274 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -51.78 -57.92 7.92 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.525 0.73 . . . . 0.0 110.215 164.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.08 -43.45 83.34 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 125.047 1.308 . . . . 0.0 113.073 176.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -56.98 -41.87 79.19 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.748 1.774 . . . . 0.0 112.136 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -67.63 -48.89 65.45 Favored 'General case' 0 C--N 1.34 0.193 0 CA-C-N 118.674 0.67 . . . . 0.0 111.623 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 38.9 mt -66.18 -37.14 84.91 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 120.915 -1.116 . . . . 0.0 112.17 -176.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.27 -6.21 2.98 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 128.512 2.725 . . . . 0.0 115.104 172.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.01 -10.88 15.54 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.259 -0.901 . . . . 0.0 113.429 162.125 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 87.56 8.66 0.18 Allowed 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 129.465 3.106 . . . . 0.0 112.299 -178.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.68 -18.78 74.8 Favored Glycine 0 N--CA 1.47 0.961 0 C-N-CA 124.767 1.175 . . . . 0.0 114.623 -178.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.2 t -142.8 -37.78 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 125.57 1.548 . . . . 0.0 110.714 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.76 136.48 32.94 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.826 1.651 . . . . 0.0 111.392 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -139.7 36.59 2.0 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 124.328 1.051 . . . . 0.0 113.318 -170.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 52.91 32.19 12.14 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 116.305 1.965 . . . . 0.0 116.305 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -161.21 -37.06 0.02 OUTLIER Glycine 0 N--CA 1.482 1.731 0 CA-C-N 116.538 -0.301 . . . . 0.0 113.771 175.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -86.71 14.46 7.02 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 121.238 -1.154 . . . . 0.0 113.687 167.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.24 -53.35 59.12 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.657 1.183 . . . . 0.0 112.442 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 44.5 p -69.19 -36.78 77.66 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.7 -54.07 49.68 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.006 0.922 . . . . 0.0 111.784 175.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.7 mp -66.83 -32.73 74.2 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 117.875 -1.06 . . . . 0.0 112.34 175.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.17 -51.11 69.15 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 119.98 1.264 . . . . 0.0 113.449 175.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.35 -48.49 59.68 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 173.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 75.7 m -64.21 -44.37 92.13 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -67.17 -47.8 69.89 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 120.143 1.338 . . . . 0.0 111.059 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.644 ' HB1' HD23 ' A' ' 30' ' ' LEU . . . -62.77 -45.82 90.92 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.715 1.206 . . . . 0.0 110.598 177.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.54 -23.81 61.83 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 175.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.24 -38.27 75.14 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 120.513 1.506 . . . . 0.0 111.066 169.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.3 -44.03 89.23 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 118.945 -0.55 . . . . 0.0 111.504 170.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.8 p -63.91 -38.06 89.69 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 118.167 -0.921 . . . . 0.0 113.165 172.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.03 -44.01 70.11 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.481 1.512 . . . . 0.0 112.252 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 41.4 t -63.42 -47.22 82.85 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 121.858 -0.526 . . . . 0.0 110.452 171.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.418 ' HB1' ' HB2' ' A' ' 39' ' ' ALA . . . -60.67 -38.3 84.46 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 175.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -57.23 -45.73 83.62 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.821 1.649 . . . . 0.0 111.987 174.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 67.1 m -71.67 -43.84 65.32 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.057 0.543 . . . . 0.0 111.568 173.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -66.03 -17.8 64.92 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 120.782 -1.199 . . . . 0.0 113.536 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 39.7 m -57.56 -21.46 38.68 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 120.575 1.534 . . . . 0.0 113.653 164.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -80.55 -34.0 35.79 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 119.688 1.131 . . . . 0.0 113.182 169.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -88.99 -38.8 14.16 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.732 1.213 . . . . 0.0 113.576 -174.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -86.63 -25.41 24.9 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.753 2.021 . . . . 0.0 112.214 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.57 33.71 5.32 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.444 1.498 . . . . 0.0 111.55 175.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -1.99 0.31 Allowed 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 170.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -50.03 -33.03 16.88 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 120.49 -1.381 . . . . 0.0 112.922 166.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -67.09 -20.9 65.88 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 173.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -72.98 -43.67 61.96 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.514 1.126 . . . . 0.0 111.663 174.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -85.4 -7.86 58.72 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.955 1.302 . . . . 0.0 113.889 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.33 -171.88 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.338 1.455 . . . . 0.0 113.057 171.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.9 t 69.17 -37.69 0.38 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 127.092 2.157 . . . . 0.0 113.832 -168.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -99.35 -40.97 7.64 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.502 1.121 . . . . 0.0 112.623 170.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -70.43 -45.48 65.77 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 176.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -63.79 -33.02 74.73 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 121.297 -0.877 . . . . 0.0 112.708 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -67.9 -30.83 70.26 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.479 1.112 . . . . 0.0 113.466 173.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -65.08 -23.99 67.32 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 121.082 -1.011 . . . . 0.0 113.386 173.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -106.01 10.57 32.2 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 125.602 1.561 . . . . 0.0 113.455 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -69.02 5.92 1.05 Allowed 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 177.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -65.89 14.27 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.169 0 N-CA-C 115.448 1.647 . . . . 0.0 115.448 173.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 23.0 t -127.62 160.69 30.83 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.76 2.024 . . . . 0.0 111.894 -174.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -91.79 11.07 25.93 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 125.336 1.454 . . . . 0.0 113.553 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -79.82 29.27 0.26 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 126.108 1.763 . . . . 0.0 114.312 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -56.09 135.6 52.79 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 120.828 -1.17 . . . . 0.0 112.604 -178.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.08 70.49 0.83 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.394 1.477 . . . . 0.0 110.4 -173.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -140.81 -62.13 0.49 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.833 1.253 . . . . 0.0 111.495 178.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 75.4 m -149.31 69.17 1.05 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.898 1.679 . . . . 0.0 111.043 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -130.82 113.51 14.17 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.906 1.282 . . . . 0.0 110.208 176.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.235 0 C-N-CA 125.626 1.57 . . . . 0.0 111.302 -178.855 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.542 0.661 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.3 p -72.65 -40.14 66.59 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.758 1.163 . . . . 0.0 113.075 -176.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.6 t -74.68 -40.11 61.59 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.071 0.948 . . . . 0.0 111.406 172.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.1 79.91 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 121.392 -0.818 . . . . 0.0 113.206 176.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.599 ' CD2' ' HB2' ' A' ' 119' ' ' ALA . 14.6 t80 -52.34 -59.37 4.49 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.871 1.268 . . . . 0.0 109.641 163.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.62 -18.23 58.58 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -176.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -73.15 -45.54 56.12 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.42 1.088 . . . . 0.0 113.126 169.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.57 -23.16 56.51 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.113 -0.992 . . . . 0.0 113.091 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.98 -49.62 59.86 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.02 0.528 . . . . 0.0 111.401 161.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.6 t -57.47 -30.14 64.82 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 175.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.2 t -59.37 -41.11 88.55 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.166 -0.959 . . . . 0.0 112.737 175.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.09 -35.23 23.87 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 174.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.83 -39.91 86.69 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.447 -0.783 . . . . 0.0 112.168 176.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.0 -24.74 67.59 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.345 1.458 . . . . 0.0 113.728 173.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.91 -10.84 59.75 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.59 1.556 . . . . 0.0 112.677 171.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.8 m -133.94 58.3 1.77 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.31 1.444 . . . . 0.0 112.637 -168.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.68 -26.06 8.44 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -177.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.95 -15.64 9.53 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 172.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -40.66 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 O-C-N 120.274 -1.516 . . . . 0.0 112.915 169.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.9 m -65.91 -30.26 70.82 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.182 -0.948 . . . . 0.0 110.406 175.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -36.41 82.62 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.129 1.372 . . . . 0.0 112.416 170.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.33 -41.02 92.67 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.422 1.01 . . . . 0.0 111.962 171.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -69.96 -34.16 73.03 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 171.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.12 -24.89 65.03 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 119.291 0.95 . . . . 0.0 113.323 172.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.5 m -75.1 -15.76 60.59 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 174.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.6 m -133.21 108.35 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 124.804 1.242 . . . . 0.0 112.207 -176.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.0 p -100.91 31.76 3.45 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.936 1.694 . . . . 0.0 113.665 -171.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.4 m -136.04 128.44 30.29 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.471 1.508 . . . . 0.0 111.523 -176.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.34 -52.43 61.59 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.069 1.348 . . . . 0.0 112.653 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.1 m -66.55 -35.03 79.22 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.026 0.93 . . . . 0.0 112.822 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.73 -31.5 68.36 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.577 -0.702 . . . . 0.0 112.337 175.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.07 -36.57 83.57 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.391 -0.818 . . . . 0.0 111.962 169.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.3 m -58.98 -42.48 90.06 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.021 0.828 . . . . 0.0 111.881 168.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.8 m -64.65 -38.35 90.69 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 118.671 -0.68 . . . . 0.0 112.812 171.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.9 tt -61.89 -46.35 89.78 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.567 1.076 . . . . 0.0 110.623 173.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.07 -47.2 78.42 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 119.727 1.149 . . . . 0.0 112.005 171.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -63.06 -47.4 83.09 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 119.663 1.119 . . . . 0.0 112.559 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -63.09 -57.19 11.44 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.612 1.965 . . . . 0.0 112.821 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.8 mm -71.11 -33.7 52.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 C-N-CA 124.353 1.061 . . . . 0.0 110.631 -177.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.51 -56.73 18.44 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.696 1.141 . . . . 0.0 111.828 168.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.5 -25.95 66.47 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 118.778 1.289 . . . . 0.0 114.06 177.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.5 t -75.45 -49.96 17.26 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.656 -0.653 . . . . 0.0 111.463 173.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.71 -35.97 75.59 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.895 1.278 . . . . 0.0 112.652 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.06 -47.81 3.19 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.262 1.825 . . . . 0.0 112.452 171.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.5 ttt-85 -82.63 -28.13 30.97 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.732 1.613 . . . . 0.0 112.59 -177.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.6 m -65.29 -35.67 81.72 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.584 1.154 . . . . 0.0 113.079 169.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.44 HD21 ' HA ' ' A' ' 122' ' ' PHE . 3.1 mm? -88.53 -26.72 21.86 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.122 0.969 . . . . 0.0 112.928 173.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.39 -18.27 38.86 Favored Glycine 0 CA--C 1.541 1.658 0 C-N-CA 126.336 1.922 . . . . 0.0 114.316 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.461 ' H ' HD12 ' A' ' 66' ' ' ILE . 4.5 mp -77.62 76.35 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 126.905 2.082 . . . . 0.0 110.375 177.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.13 -6.8 2.18 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 173.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.9 18.73 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 126.931 2.092 . . . . 0.0 114.909 174.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -13.33 10.5 Favored 'General case' 0 C--O 1.221 -0.4 0 O-C-N 120.491 -1.38 . . . . 0.0 114.424 176.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.9 t -46.09 -40.59 11.1 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.847 1.203 . . . . 0.0 113.508 170.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.69 -38.14 16.1 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.861 0.864 . . . . 0.0 112.558 173.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.434 HD11 ' HA ' ' A' ' 100' ' ' ALA . 5.0 tp -59.68 -57.91 10.87 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-N 118.532 0.606 . . . . 0.0 111.466 178.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.25 -40.89 71.45 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 127.019 2.128 . . . . 0.0 112.059 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -64.6 -10.86 46.2 Favored Glycine 0 CA--C 1.541 1.714 0 C-N-CA 125.373 1.463 . . . . 0.0 115.233 172.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -115.07 -27.28 7.39 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.951 1.7 . . . . 0.0 112.446 173.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.0 tp -70.5 -41.89 72.03 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 127.365 2.266 . . . . 0.0 110.579 177.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.89 -37.95 74.9 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.839 1.256 . . . . 0.0 111.991 168.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -76.31 -27.32 56.52 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.385 1.074 . . . . 0.0 112.579 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.41 -56.7 4.45 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.008 0.923 . . . . 0.0 111.121 175.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.0 p -65.02 -37.58 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.561 0.744 . . . . 0.0 112.026 177.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -80.11 -28.41 49.61 Favored Glycine 0 CA--C 1.531 1.031 0 C-N-CA 124.907 1.241 . . . . 0.0 113.45 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.67 -22.46 56.96 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 124.972 1.272 . . . . 0.0 113.897 172.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 t -129.36 31.28 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.99 1.716 . . . . 0.0 110.144 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.31 109.77 3.08 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 124.541 1.067 . . . . 0.0 111.72 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 60.53 88.21 0.08 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 127.484 2.314 . . . . 0.0 114.029 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 175.35 -29.66 0.08 OUTLIER Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.613 1.101 . . . . 0.0 114.221 176.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -102.12 -87.42 0.4 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.402 1.081 . . . . 0.0 111.197 176.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.2 t 174.01 173.29 0.18 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 127.163 2.185 . . . . 0.0 110.475 -176.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.07 -24.7 0.69 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.449 1.099 . . . . 0.0 113.452 160.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.83 -49.49 76.1 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 120.154 1.343 . . . . 0.0 112.352 171.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.08 -38.12 85.2 Favored 'General case' 0 C--O 1.224 -0.246 0 O-C-N 121.23 -0.919 . . . . 0.0 111.863 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -63.41 -48.44 77.81 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 119.555 1.07 . . . . 0.0 110.334 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.3 -40.1 86.02 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.92 1.288 . . . . 0.0 113.25 177.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -68.31 -41.91 80.2 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 119.556 1.071 . . . . 0.0 111.044 175.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.92 88.6 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.567 0.747 . . . . 0.0 111.707 175.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.0 mt -64.06 -49.69 80.39 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 CA-C-O 118.535 -0.745 . . . . 0.0 111.007 172.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.82 -41.05 79.14 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 120.392 1.451 . . . . 0.0 113.21 -178.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -63.89 -40.28 96.14 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 117.916 -1.04 . . . . 0.0 111.35 174.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -82.93 -32.82 27.01 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.815 1.189 . . . . 0.0 113.111 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.434 ' HA ' HD11 ' A' ' 72' ' ' LEU . . . -52.9 -46.05 67.84 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.681 1.192 . . . . 0.0 110.395 162.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -71.09 -38.27 63.71 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-O 117.835 -1.536 . . . . 0.0 113.844 176.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -54.71 -42.91 72.08 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 120.538 2.169 . . . . 0.0 112.459 -177.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -75.95 -43.71 43.5 Favored 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 174.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.6 tp -61.75 -39.1 90.42 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 120.676 -1.265 . . . . 0.0 111.74 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.735 0 C-N-CA 128.961 2.904 . . . . 0.0 115.06 170.614 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 120.922 0.392 . . . . 0.0 111.781 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.06 128.63 34.13 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.281 1.032 . . . . 0.0 111.246 175.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -139.79 34.42 1.99 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.59 1.156 . . . . 0.0 112.133 -174.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 44.23 48.91 7.84 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.786 2.034 . . . . 0.0 114.537 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -171.9 -35.99 0.03 OUTLIER Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.087 1.327 . . . . 0.0 112.834 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -108.43 12.83 25.95 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.731 1.612 . . . . 0.0 112.359 168.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.29 -52.55 64.89 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.184 0.902 . . . . 0.0 110.328 175.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 69.5 m -63.59 -38.09 89.81 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.55 -49.65 68.09 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.559 0.744 . . . . 0.0 111.824 177.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.8 mp -63.43 -35.71 81.34 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 117.665 -1.159 . . . . 0.0 111.488 173.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.599 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . . . -65.88 -47.38 75.06 Favored 'General case' 0 N--CA 1.457 -0.103 0 CA-C-N 119.758 1.163 . . . . 0.0 112.638 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -56.13 -49.98 64.52 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 174.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.7 m -59.12 -43.5 91.95 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 173.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.44 ' HA ' HD21 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -61.16 -49.86 75.52 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 120.1 1.318 . . . . 0.0 110.653 177.667 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.49 -48.04 82.87 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 124.053 0.941 . . . . 0.0 110.661 -177.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.77 -31.1 71.27 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 118.411 -0.804 . . . . 0.0 112.981 172.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -81.56 -43.98 17.94 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.867 1.212 . . . . 0.0 112.487 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.417 HD13 ' HE1' ' A' ' 122' ' ' PHE . 4.0 tt -67.86 -39.13 83.79 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.883 1.273 . . . . 0.0 109.934 173.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.9 p -66.31 -48.36 70.61 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 117.285 -1.34 . . . . 0.0 111.986 169.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -56.51 -39.55 73.51 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 121.687 2.039 . . . . 0.0 111.619 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 40.7 t -59.9 -54.17 49.32 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 117.928 -1.034 . . . . 0.0 111.749 169.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.49 -45.1 85.27 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 120.886 1.675 . . . . 0.0 113.907 177.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -62.01 -44.59 96.39 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.308 2.243 . . . . 0.0 111.925 178.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 72.7 m -76.85 -28.28 55.41 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.908 0.883 . . . . 0.0 112.44 174.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -70.84 -17.51 62.74 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-O 116.943 -1.503 . . . . 0.0 112.237 171.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 56.7 m -54.72 -32.96 60.42 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 122.246 2.294 . . . . 0.0 112.39 164.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.79 -24.37 61.73 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.897 1.279 . . . . 0.0 114.05 173.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -106.5 -13.09 15.43 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.917 1.687 . . . . 0.0 113.907 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -81.99 -35.88 28.48 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.644 2.378 . . . . 0.0 110.669 171.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.67 21.34 17.07 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.939 1.296 . . . . 0.0 112.122 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.96 15.37 0.16 Allowed 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 174.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -53.89 -24.95 17.77 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.32 1.448 . . . . 0.0 113.359 173.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -80.69 -37.23 31.14 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.286 1.434 . . . . 0.0 113.277 171.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -72.02 -39.23 69.32 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.862 0.755 . . . . 0.0 111.881 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.99 -34.72 78.14 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 121.426 -0.797 . . . . 0.0 112.155 174.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -71.35 28.94 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 126.218 1.807 . . . . 0.0 114.153 173.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.66 -39.75 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 127.128 2.171 . . . . 0.0 111.715 170.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.99 -40.82 12.1 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 . . . . . 0 N--CA 1.475 0.815 0 C-N-CA 123.809 0.843 . . . . 0.0 112.011 177.181 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.3 p90 . . . . . 0 CA--C 1.534 0.344 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.1 p -64.39 -38.71 91.98 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.171 1.389 . . . . 0.0 113.091 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 t -83.53 -37.71 22.68 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.018 0.927 . . . . 0.0 111.706 176.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.62 -35.17 79.62 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.479 -0.763 . . . . 0.0 112.514 173.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.443 ' CE2' ' HA ' ' A' ' 119' ' ' ALA . 4.2 t80 -54.43 -59.45 4.66 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.208 1.003 . . . . 0.0 109.824 164.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.22 -18.73 63.84 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 120.759 -1.213 . . . . 0.0 113.682 -176.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -76.1 -52.32 10.38 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.561 1.144 . . . . 0.0 112.533 169.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.71 -27.42 68.32 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.83 0.852 . . . . 0.0 112.99 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.435 ' HB1' ' HB2' ' A' ' 123' ' ' ALA . . . -51.67 -41.75 61.62 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.987 1.315 . . . . 0.0 111.763 168.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.2 t -56.32 -30.16 62.2 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 176.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.4 t -57.42 -40.25 77.94 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.243 -0.91 . . . . 0.0 112.385 175.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.97 -33.32 15.61 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.822 0.849 . . . . 0.0 112.752 177.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.12 -41.82 89.13 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.859 0.864 . . . . 0.0 111.276 174.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.13 -25.85 64.59 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.82 1.248 . . . . 0.0 114.023 173.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.33 -16.14 62.96 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.977 1.311 . . . . 0.0 113.154 173.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.3 m -125.39 66.51 1.15 Allowed 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.162 1.385 . . . . 0.0 111.848 -171.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 76.5 p -49.74 -28.94 6.78 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.76 -15.97 55.74 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 173.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 tt -63.95 -36.81 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 120.295 1.407 . . . . 0.0 111.631 171.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.7 m -69.09 -31.09 69.57 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.148 -0.97 . . . . 0.0 111.075 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.34 -31.9 73.18 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.753 0.821 . . . . 0.0 112.853 170.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.02 -50.26 73.28 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.65 0.659 . . . . 0.0 110.672 173.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -67.47 -37.99 83.75 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 173.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.76 -25.86 67.72 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 119.431 1.014 . . . . 0.0 113.305 173.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.0 t -75.87 -14.8 60.28 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.148 1.379 . . . . 0.0 113.988 174.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.7 p -136.23 97.5 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 CA-C-O 122.649 1.214 . . . . 0.0 112.13 -176.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.4 m -91.51 44.43 1.18 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.712 1.605 . . . . 0.0 112.798 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.78 134.56 22.35 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.32 1.048 . . . . 0.0 111.313 177.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.57 -51.98 67.58 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.972 0.909 . . . . 0.0 112.433 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.4 m -65.02 -35.53 81.49 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.416 1.086 . . . . 0.0 113.083 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.49 -28.67 56.55 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.206 -0.934 . . . . 0.0 112.27 175.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.98 -35.25 80.59 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.929 1.24 . . . . 0.0 111.15 167.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.9 m -60.24 -42.28 94.9 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.926 0.785 . . . . 0.0 112.417 167.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.3 t -63.77 -39.74 94.99 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.324 0.649 . . . . 0.0 112.708 173.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.54 -50.16 73.78 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 121.31 -0.869 . . . . 0.0 110.652 172.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.06 73.62 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.848 1.204 . . . . 0.0 112.895 174.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -65.1 -56.0 15.51 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.297 -0.877 . . . . 0.0 111.919 173.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -64.01 -51.11 65.76 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.519 1.054 . . . . 0.0 112.919 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 45.7 mm -71.38 -38.69 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 124.237 1.015 . . . . 0.0 110.469 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.59 -34.94 91.29 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 124.285 0.945 . . . . 0.0 113.365 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 tp -54.18 -50.96 65.83 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.186 0.993 . . . . 0.0 110.762 170.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.7 t -74.86 -30.77 61.44 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.901 0.88 . . . . 0.0 113.356 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.57 -50.29 74.11 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.784 1.175 . . . . 0.0 111.389 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.64 -49.44 76.45 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.626 1.171 . . . . 0.0 112.071 169.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.59 -33.94 76.72 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.3 t -63.44 -35.62 81.04 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.701 1.6 . . . . 0.0 112.363 173.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.4 -7.75 58.19 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.602 1.161 . . . . 0.0 113.068 172.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.12 14.68 78.71 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 125.23 1.395 . . . . 0.0 114.854 -177.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 17.4 mm -75.51 113.51 14.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 125.271 1.428 . . . . 0.0 110.803 -177.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.57 -13.91 59.99 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 177.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -70.2 7.74 0.93 Allowed 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 125.585 1.554 . . . . 0.0 113.725 171.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -44.15 -52.77 7.04 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 120.913 1.688 . . . . 0.0 114.676 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.1 t -69.01 -38.7 79.37 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.345 1.058 . . . . 0.0 113.331 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.14 -44.27 65.89 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.206 1.002 . . . . 0.0 112.294 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.8 tp -62.99 -51.31 67.35 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-O 117.32 -1.324 . . . . 0.0 109.617 170.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.59 -38.39 66.67 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 121.254 1.843 . . . . 0.0 112.669 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -71.45 -0.62 39.5 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 125.498 1.523 . . . . 0.0 116.321 172.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.69 -28.85 2.94 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.616 1.966 . . . . 0.0 112.642 177.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.3 tp -64.66 -39.24 93.35 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 127.373 2.269 . . . . 0.0 110.15 171.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.16 -33.29 67.27 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.794 1.238 . . . . 0.0 113.274 167.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -38.54 52.65 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.958 1.254 . . . . 0.0 112.124 172.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.58 -49.72 72.26 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.204 0.911 . . . . 0.0 111.699 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.3 p -73.34 -40.11 56.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-N 118.506 0.594 . . . . 0.0 112.416 176.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -74.59 -28.31 63.6 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.041 0.829 . . . . 0.0 113.501 -174.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.57 -26.97 65.34 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.352 1.453 . . . . 0.0 113.801 173.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.5 t -136.27 36.48 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 125.779 1.632 . . . . 0.0 110.183 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.63 135.46 25.06 Favored Glycine 0 CA--C 1.533 1.217 0 O-C-N 120.47 -1.394 . . . . 0.0 111.669 177.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 47.78 83.13 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.1 1.76 . . . . 0.0 115.23 -176.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -178.64 -38.91 0.06 OUTLIER Glycine 0 CA--C 1.531 1.075 0 N-CA-C 115.154 0.822 . . . . 0.0 115.154 170.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.16 -74.81 0.44 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.727 0.811 . . . . 0.0 112.02 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.8 t 161.36 168.1 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 128.279 2.632 . . . . 0.0 110.078 -176.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.28 -22.39 0.4 Allowed 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 161.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -61.37 -50.63 72.12 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 120.638 1.563 . . . . 0.0 112.03 169.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.16 -38.34 82.0 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 118.31 -0.852 . . . . 0.0 112.378 173.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -68.54 -42.46 78.39 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.885 1.22 . . . . 0.0 110.784 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.12 -40.34 82.52 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.987 0.915 . . . . 0.0 112.519 172.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -64.21 -38.67 91.9 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 120.102 1.319 . . . . 0.0 111.231 173.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.24 -47.59 76.25 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.061 0.945 . . . . 0.0 112.036 172.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.6 -42.41 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.388 0.675 . . . . 0.0 110.917 177.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.64 -41.87 30.31 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.793 1.237 . . . . 0.0 113.086 -176.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 28.2 ptt180 -62.75 -39.18 93.34 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.785 1.175 . . . . 0.0 111.038 173.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -80.07 -34.26 38.27 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.017 0.826 . . . . 0.0 112.615 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.6 -50.8 67.19 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.084 0.856 . . . . 0.0 110.395 162.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.63 -40.58 98.13 Favored Glycine 0 C--N 1.339 0.739 0 CA-C-O 117.992 -1.449 . . . . 0.0 112.724 176.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -54.88 -45.32 74.62 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.761 1.78 . . . . 0.0 112.72 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -70.91 -47.4 59.34 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.688 0.676 . . . . 0.0 110.794 178.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.8 mp -62.52 -36.51 82.79 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 120.932 -1.105 . . . . 0.0 112.871 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 0.516 0 C-N-CA 127.344 2.258 . . . . 0.0 114.606 172.276 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 24.0 t . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 120.403 0.144 . . . . 0.0 110.684 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.73 142.47 35.41 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.596 -0.69 . . . . 0.0 111.58 174.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -145.28 37.25 1.12 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.775 1.23 . . . . 0.0 112.674 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 48.23 33.56 3.81 Favored 'General case' 0 CA--C 1.559 1.289 0 N-CA-C 115.556 1.688 . . . . 0.0 115.556 175.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -166.23 -43.42 0.02 OUTLIER Glycine 0 N--CA 1.474 1.232 0 C-N-CA 125.505 1.526 . . . . 0.0 112.409 -178.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -84.52 8.31 17.02 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 167.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.42 -44.97 89.29 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.796 1.18 . . . . 0.0 112.578 -177.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 51.8 p -70.24 -39.19 75.18 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 177.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.15 -52.24 63.26 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.82 0.848 . . . . 0.0 111.425 176.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -67.49 -29.64 69.12 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-O 117.963 -1.018 . . . . 0.0 111.902 176.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.443 ' HA ' ' CE2' ' A' ' 22' ' ' PHE . . . -67.52 -51.4 51.43 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 120.374 1.443 . . . . 0.0 114.0 174.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -52.32 -49.33 51.47 Favored Glycine 0 C--N 1.338 0.691 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 173.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 63.2 m -58.67 -46.98 86.01 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 173.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -66.84 -41.23 87.75 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 121.668 2.031 . . . . 0.0 111.868 -177.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.435 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . . . -59.83 -57.06 14.54 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.871 1.269 . . . . 0.0 111.02 173.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -32.37 69.6 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 117.666 -1.159 . . . . 0.0 112.044 175.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.92 -44.71 60.9 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 120.48 1.491 . . . . 0.0 113.235 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.6 -42.52 99.62 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.616 -0.677 . . . . 0.0 109.659 171.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.7 m -62.68 -31.71 72.65 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 169.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.49 -43.74 59.48 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 121.184 1.811 . . . . 0.0 111.116 -176.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 44.0 t -57.51 -50.03 74.4 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.366 165.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.07 -44.69 87.67 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 120.144 1.338 . . . . 0.0 114.21 177.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -61.03 -42.73 99.03 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.66 1.984 . . . . 0.0 112.05 176.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 74.2 m -74.97 -34.35 62.01 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.544 0.738 . . . . 0.0 112.424 175.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -72.38 -22.83 61.08 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.155 0.982 . . . . 0.0 112.177 174.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 73.3 m -58.47 -13.86 6.51 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 120.877 1.672 . . . . 0.0 113.415 163.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -99.35 -6.94 26.97 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.428 1.491 . . . . 0.0 114.209 170.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -115.82 -22.55 9.04 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.378 1.471 . . . . 0.0 113.623 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -108.64 -35.33 6.46 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 127.932 2.493 . . . . 0.0 111.116 174.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.06 34.3 4.54 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.362 1.465 . . . . 0.0 111.572 178.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -51.98 -18.16 1.27 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.532 1.133 . . . . 0.0 113.783 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -45.45 -29.62 1.16 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.972 1.309 . . . . 0.0 113.576 167.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -60.14 -23.78 64.19 Favored 'General case' 0 CA--C 1.55 0.971 0 O-C-N 120.816 -1.177 . . . . 0.0 113.795 173.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -77.78 -23.94 49.02 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.397 1.079 . . . . 0.0 113.707 175.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.72 -25.86 12.97 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.215 1.006 . . . . 0.0 112.83 177.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -71.97 34.8 0.06 Allowed 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 126.502 1.921 . . . . 0.0 113.351 170.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.5 t -150.26 -48.84 0.13 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.038 1.335 . . . . 0.0 111.023 167.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.88 -41.95 34.99 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 2.7 t80 . . . . . 0 N--CA 1.471 0.579 0 O-C-N 121.451 -0.78 . . . . 0.0 111.574 -177.247 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.6 p90 . . . . . 0 CA--C 1.553 1.074 0 N-CA-C 115.532 1.679 . . . . 0.0 115.532 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 t -67.33 -37.26 83.0 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.424 1.09 . . . . 0.0 113.437 -176.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 t -84.43 -34.15 23.54 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 121.567 -0.708 . . . . 0.0 111.908 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.49 -33.15 74.52 Favored 'General case' 0 CA--C 1.559 1.308 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -47.48 -53.32 14.53 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.3 1.44 . . . . 0.0 109.562 165.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.82 -16.64 59.12 Favored 'General case' 0 CA--C 1.562 1.412 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -176.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -78.14 -42.82 30.58 Favored 'General case' 0 CA--C 1.558 1.267 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 170.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.9 -31.69 66.65 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.33 -45.36 54.83 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 126.387 1.875 . . . . 0.0 111.383 166.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.49 -27.14 46.73 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 173.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.3 t -60.4 -39.49 87.54 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.203 -0.936 . . . . 0.0 113.487 174.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.33 -29.15 15.78 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 175.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.18 -41.17 92.33 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.444 1.098 . . . . 0.0 111.753 173.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.18 -25.5 68.11 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 172.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 m -73.0 -9.44 58.73 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 126.315 1.846 . . . . 0.0 113.373 170.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.5 t -130.17 70.08 1.44 Allowed 'General case' 0 CA--C 1.533 0.321 0 O-C-N 120.29 -1.506 . . . . 0.0 110.642 -175.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.3 t -53.34 -27.32 22.86 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 174.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.57 -15.68 40.97 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 170.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.4 tt -67.44 -39.01 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 O-C-N 120.815 -1.178 . . . . 0.0 111.233 167.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.2 m -66.6 -32.89 74.51 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.78 0.832 . . . . 0.0 111.651 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -35.39 70.67 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.839 1.656 . . . . 0.0 111.829 168.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.51 -46.54 86.53 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 119.16 0.891 . . . . 0.0 110.382 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -70.05 -34.16 72.87 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 174.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.83 -32.3 71.69 Favored 'General case' 0 CA--C 1.56 1.329 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 171.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.53 -16.96 61.77 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 125.839 1.656 . . . . 0.0 115.075 173.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -140.17 102.11 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 CA-C-O 122.698 1.237 . . . . 0.0 111.506 -175.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.9 p -92.45 27.85 2.15 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 127.724 2.409 . . . . 0.0 114.837 -174.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 m -136.78 136.86 39.25 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.498 1.119 . . . . 0.0 112.191 -175.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.87 -50.98 71.98 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.8 t -69.07 -37.22 78.37 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.72 -0.613 . . . . 0.0 112.375 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.26 -30.63 66.54 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 174.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.61 -36.41 83.64 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.476 1.034 . . . . 0.0 110.906 169.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -42.51 94.65 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-O 118.386 -0.816 . . . . 0.0 111.71 166.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 64.5 m -64.62 -39.13 93.16 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 173.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 tp -56.13 -56.51 19.98 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.182 1.393 . . . . 0.0 109.143 169.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.418 ' HB1' HD23 ' A' ' 76' ' ' LEU . . . -65.76 -27.29 68.19 Favored 'General case' 0 CA--C 1.556 1.208 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -63.63 -59.08 5.06 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 125.757 1.623 . . . . 0.0 112.082 164.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -54.99 -46.6 75.16 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.024 0.929 . . . . 0.0 111.356 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.0 mp -80.69 -39.73 18.5 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.266 0 CA-C-O 118.157 -0.925 . . . . 0.0 112.404 -178.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.31 -35.49 78.84 Favored Glycine 0 N--CA 1.483 1.79 0 C-N-CA 124.53 1.062 . . . . 0.0 113.537 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.14 -55.73 31.17 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.085 1.354 . . . . 0.0 111.761 171.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.6 t -64.74 -33.18 75.37 Favored 'General case' 0 CA--C 1.561 1.398 0 C-N-CA 124.191 0.996 . . . . 0.0 113.169 176.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.96 -51.79 65.53 Favored 'General case' 0 C--O 1.255 1.355 0 C-N-CA 123.934 0.894 . . . . 0.0 112.355 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.1 -47.98 79.74 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.583 171.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -56.05 -45.42 79.23 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 120.814 -1.179 . . . . 0.0 112.056 176.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.4 t -61.02 -36.57 79.86 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.692 1.197 . . . . 0.0 112.431 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -78.3 -20.05 52.32 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.782 1.233 . . . . 0.0 113.081 171.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.09 6.24 45.72 Favored Glycine 0 CA--C 1.555 2.573 0 C-N-CA 125.687 1.613 . . . . 0.0 114.459 178.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.4 mt -76.01 106.33 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 127.753 2.421 . . . . 0.0 109.137 -176.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.1 -9.04 35.36 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.391 1.077 . . . . 0.0 113.846 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.4 m -67.35 -1.89 5.35 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.572 1.149 . . . . 0.0 113.96 167.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.9 p30 -38.93 -50.89 1.77 Allowed 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 -178.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.4 t -61.47 -34.63 75.77 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.913 1.285 . . . . 0.0 114.022 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.27 -42.49 23.03 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.882 0.873 . . . . 0.0 112.362 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.2 tp -60.16 -46.3 90.17 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 124.751 1.22 . . . . 0.0 111.105 174.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.32 -40.48 74.47 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.496 0.718 . . . . 0.0 111.788 176.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.63 10.32 56.41 Favored Glycine 0 CA--C 1.56 2.859 0 C-N-CA 125.91 1.719 . . . . 0.0 115.939 173.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -130.16 -34.16 1.67 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.286 1.434 . . . . 0.0 112.39 -178.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.418 HD23 ' HB1' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -60.44 -40.37 90.85 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.511 1.124 . . . . 0.0 110.417 167.731 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.15 -35.95 65.27 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.026 0.93 . . . . 0.0 113.414 172.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -70.42 -42.87 71.03 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.247 1.019 . . . . 0.0 111.982 174.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.33 -43.52 85.89 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 174.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.5 t -72.37 -50.46 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.938 1.695 . . . . 0.0 111.254 -178.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.2 -35.96 86.68 Favored Glycine 0 CA--C 1.544 1.896 0 C-N-CA 124.068 0.842 . . . . 0.0 112.139 174.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.95 -21.0 22.21 Favored Glycine 0 CA--C 1.546 2.026 0 C-N-CA 125.377 1.465 . . . . 0.0 116.083 173.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.2 t -131.81 15.61 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 C-N-CA 125.238 1.415 . . . . 0.0 110.282 176.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.03 128.16 45.62 Favored Glycine 0 CA--C 1.538 1.5 0 O-C-N 120.981 -1.074 . . . . 0.0 111.321 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 48.31 88.4 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 126.967 2.107 . . . . 0.0 115.032 -176.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 179.77 -34.8 0.07 OUTLIER Glycine 0 N--CA 1.479 1.553 0 CA-C-O 119.144 -0.809 . . . . 0.0 114.572 170.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.6 -98.35 0.14 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.134 0.974 . . . . 0.0 110.314 171.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 91.4 p -174.68 -178.07 1.26 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 125.675 1.59 . . . . 0.0 111.185 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.0 -29.38 0.82 Allowed 'General case' 0 CA--C 1.543 0.675 0 CA-C-O 117.408 -1.282 . . . . 0.0 114.22 161.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.5 t -62.35 -49.44 75.58 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.846 1.203 . . . . 0.0 111.747 174.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.66 -35.93 75.59 Favored 'General case' 0 CA--C 1.553 1.069 0 O-C-N 121.727 -0.608 . . . . 0.0 112.416 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -65.67 -51.03 62.66 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 118.563 0.619 . . . . 0.0 109.5 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.04 -43.31 81.84 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.918 1.287 . . . . 0.0 113.623 172.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -70.04 -39.53 75.69 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 117.717 -1.135 . . . . 0.0 112.333 177.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.13 96.8 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 124.154 0.909 . . . . 0.0 112.364 172.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 33.0 mt -61.86 -56.9 14.75 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.065 0 C-N-CA 124.496 1.119 . . . . 0.0 111.689 173.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.46 -40.96 89.7 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.338 0.655 . . . . 0.0 112.379 -177.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -64.03 -45.21 89.9 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-O 116.456 -1.735 . . . . 0.0 110.749 174.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.76 -37.29 81.9 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 121.279 1.854 . . . . 0.0 111.937 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.37 -49.28 76.69 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 169.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -68.69 -37.13 84.23 Favored Glycine 0 CA--C 1.54 1.605 0 CA-C-O 119.279 -0.734 . . . . 0.0 113.225 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -56.19 -45.16 79.89 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.62 1.568 . . . . 0.0 111.36 175.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -63.3 -39.92 95.91 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 118.322 0.51 . . . . 0.0 111.187 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.1 mp -71.14 -39.22 72.12 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.69 1.196 . . . . 0.0 111.771 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.553 1.084 0 C-N-CA 124.31 1.044 . . . . 0.0 113.257 170.276 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.5 t . . . . . 0 N--CA 1.497 1.911 0 CA-C-O 121.531 0.682 . . . . 0.0 109.92 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.8 mp -66.97 140.08 57.72 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.724 171.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -144.94 22.28 1.58 Allowed 'General case' 0 CA--C 1.562 1.408 0 C-N-CA 126.783 2.033 . . . . 0.0 112.134 -172.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 53.56 43.38 31.3 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 125.685 1.594 . . . . 0.0 113.481 174.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -163.37 -40.65 0.02 OUTLIER Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.276 0.941 . . . . 0.0 113.073 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.6 10.76 29.06 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.237 1.415 . . . . 0.0 112.155 167.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.4 -49.66 76.69 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 120.935 1.698 . . . . 0.0 111.051 178.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 54.4 p -65.76 -37.53 86.61 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 176.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.85 -53.79 45.12 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.839 0.855 . . . . 0.0 111.543 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.6 mp -62.09 -35.88 80.02 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 116.811 -1.566 . . . . 0.0 111.991 172.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.77 -52.77 61.9 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 119.089 0.859 . . . . 0.0 113.045 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.89 -47.39 65.88 Favored Glycine 0 CA--C 1.56 2.875 0 O-C-N 125.073 1.483 . . . . 0.0 111.795 173.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 71.7 m -62.0 -43.69 98.3 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 116.294 -1.812 . . . . 0.0 115.457 173.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.41 -47.03 80.71 Favored 'General case' 0 CA--C 1.502 -0.889 0 O-C-N 124.39 1.056 . . . . 0.0 110.765 178.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -52.88 -55.18 25.09 Favored 'General case' 0 C--O 1.247 0.953 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 173.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -64.64 -29.62 70.63 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 126.573 2.421 . . . . 0.0 111.338 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -79.97 -45.41 18.52 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.767 1.167 . . . . 0.0 111.96 -176.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.6 tt -61.25 -46.81 88.87 Favored 'General case' 0 CA--C 1.555 1.142 0 O-C-N 124.731 1.269 . . . . 0.0 109.408 171.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 22.2 p -70.17 -32.96 71.15 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-O 118.126 -0.94 . . . . 0.0 113.536 174.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.24 -40.56 90.33 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 121.078 1.763 . . . . 0.0 112.21 173.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.9 t -59.33 -47.5 85.16 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 116.179 -1.867 . . . . 0.0 110.296 168.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.65 -41.78 95.65 Favored 'General case' 0 CA--C 1.563 1.47 0 CA-C-N 120.784 1.629 . . . . 0.0 114.382 175.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -56.23 -49.71 73.34 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 125.816 1.646 . . . . 0.0 111.121 170.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.1 t -71.86 -27.25 62.75 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.459 1.104 . . . . 0.0 111.829 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -66.74 -36.17 81.83 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 120.459 1.481 . . . . 0.0 112.29 172.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.6 t -60.03 -16.77 33.81 Favored 'General case' 0 CA--C 1.56 1.344 0 CA-C-N 119.47 1.032 . . . . 0.0 113.143 167.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -99.9 -7.58 25.09 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 126.242 1.817 . . . . 0.0 115.203 171.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -116.36 -22.37 8.83 Favored 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 124.445 1.098 . . . . 0.0 113.522 -177.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.19 -16.53 12.55 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 126.852 2.061 . . . . 0.0 112.381 173.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.3 m -131.49 31.7 4.28 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.389 2.276 . . . . 0.0 110.862 -177.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -11.29 0.41 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.623 1.169 . . . . 0.0 113.884 174.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -47.19 -37.28 9.91 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 124.853 1.261 . . . . 0.0 112.613 162.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -58.8 -33.55 70.48 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 125.425 1.49 . . . . 0.0 114.234 174.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -68.95 -50.32 50.2 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.387 0.675 . . . . 0.0 111.141 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -69.34 -41.21 76.93 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 118.522 -0.751 . . . . 0.0 111.451 174.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -74.89 34.26 0.1 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.182 1.793 . . . . 0.0 113.38 172.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 15.3 t -147.4 -47.69 0.17 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.402 1.481 . . . . 0.0 110.515 166.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.18 -46.81 22.08 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 177.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 18.0 t80 . . . . . 0 N--CA 1.479 1.003 0 O-C-N 121.627 -0.671 . . . . 0.0 112.468 -177.096 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 51.8 p90 . . . . . 0 CA--C 1.535 0.381 0 N-CA-C 113.933 1.086 . . . . 0.0 113.933 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.5 p -55.6 -36.22 66.68 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.759 1.223 . . . . 0.0 113.95 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.9 m -93.21 -30.71 15.06 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.48 0.712 . . . . 0.0 112.838 171.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.18 -43.41 98.89 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 120.016 1.28 . . . . 0.0 112.11 177.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -48.55 79.94 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.412 0.685 . . . . 0.0 110.281 172.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.89 -22.42 64.18 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -175.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.71 -35.71 22.34 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.489 1.116 . . . . 0.0 111.725 172.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.18 -29.03 66.94 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.226 -0.921 . . . . 0.0 113.18 170.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.428 ' HB1' ' HB2' ' A' ' 123' ' ' ALA . . . -52.35 -49.77 63.65 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.122 0.969 . . . . 0.0 111.439 165.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.9 m -58.68 -25.24 62.63 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 175.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.0 t -60.4 -43.31 96.79 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.706 1.139 . . . . 0.0 111.913 172.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.02 -34.59 26.25 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 176.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.41 ' CD2' ' HB1' ' A' ' 93' ' ' ALA . 0.9 OUTLIER -60.79 -39.99 90.92 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.593 0.757 . . . . 0.0 111.538 175.331 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.97 -17.13 64.47 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.09 1.356 . . . . 0.0 114.13 171.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.99 -9.12 59.67 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.443 1.497 . . . . 0.0 112.694 172.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.8 t -124.66 73.8 1.29 Allowed 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.581 1.552 . . . . 0.0 111.122 -177.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.7 m -55.36 -29.38 58.27 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.751 -1.218 . . . . 0.0 113.588 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.2 -9.84 49.95 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 173.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.2 tt -66.0 -40.61 87.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 CA-C-N 120.717 1.598 . . . . 0.0 111.678 166.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.0 m -62.75 -28.65 70.12 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 121.638 -0.663 . . . . 0.0 111.615 176.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -30.08 70.3 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.08 0.952 . . . . 0.0 113.421 173.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.26 -50.76 72.36 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.024 0.829 . . . . 0.0 110.705 170.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -69.91 -30.95 68.49 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.586 -0.696 . . . . 0.0 112.65 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.03 -29.94 70.88 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 121.312 -0.867 . . . . 0.0 112.955 172.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -20.22 35.52 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.467 1.107 . . . . 0.0 113.551 171.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.4 t -114.91 83.24 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.9 1.68 . . . . 0.0 110.744 -171.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.7 m -91.72 32.56 1.09 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.877 1.671 . . . . 0.0 113.749 -175.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.44 140.47 31.96 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.374 1.47 . . . . 0.0 111.664 -176.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.98 -59.16 5.47 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.663 1.185 . . . . 0.0 112.678 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.9 t -64.11 -34.06 77.2 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.577 0.751 . . . . 0.0 112.487 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.58 -34.61 74.39 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.009 -1.057 . . . . 0.0 112.637 175.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.37 96.75 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.326 0.966 . . . . 0.0 110.66 169.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.8 m -58.78 -42.65 89.52 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.582 0.753 . . . . 0.0 112.162 170.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.6 m -65.47 -40.72 93.49 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.338 1.055 . . . . 0.0 112.683 176.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 tt -62.73 -49.5 74.8 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 118.738 0.699 . . . . 0.0 110.036 173.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.82 -37.58 84.98 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.172 -0.955 . . . . 0.0 113.09 176.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -60.13 -57.45 12.78 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.47 -1.394 . . . . 0.0 111.397 171.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -59.21 -51.52 69.64 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.555 1.07 . . . . 0.0 112.761 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 25.8 mm -73.71 -36.78 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 124.4 1.08 . . . . 0.0 111.218 -175.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.23 -34.33 87.8 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 125.031 1.3 . . . . 0.0 113.252 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.97 -49.48 76.66 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.057 0.943 . . . . 0.0 110.108 168.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 t -66.59 -34.85 78.8 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 175.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.23 -52.01 51.95 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.949 1.3 . . . . 0.0 111.705 178.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.77 -46.4 70.97 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.404 0.682 . . . . 0.0 110.971 170.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -60.25 -38.54 83.77 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.5 t -62.97 -33.53 75.58 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.326 1.451 . . . . 0.0 112.701 177.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.509 HD21 ' HA ' ' A' ' 122' ' ' PHE . 3.1 mm? -85.75 -7.56 58.69 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.832 1.253 . . . . 0.0 113.127 171.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.12 10.17 84.19 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 125.495 1.521 . . . . 0.0 114.515 -176.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.1 mm -72.76 103.63 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 C-N-CA 126.098 1.759 . . . . 0.0 110.159 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.83 -14.44 33.31 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 178.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.7 p -66.81 -2.27 4.89 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 170.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -31.68 -56.87 0.28 Allowed 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 116.01 1.856 . . . . 0.0 116.01 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.6 t -61.4 -41.17 96.72 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.648 1.579 . . . . 0.0 114.018 176.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.3 -44.23 59.5 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.207 1.403 . . . . 0.0 112.035 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.6 tp -63.08 -46.44 87.41 Favored 'General case' 0 C--O 1.22 -0.478 0 C-N-CA 123.941 0.897 . . . . 0.0 110.806 173.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.57 -40.83 72.46 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.95 1.25 . . . . 0.0 111.712 176.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -70.78 -4.41 53.81 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 125.447 1.499 . . . . 0.0 115.897 172.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -119.02 -22.53 7.21 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.71 2.004 . . . . 0.0 112.881 177.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.503 HD11 ' HA ' ' A' ' 96' ' ' ILE . 13.5 tp -73.43 -36.54 65.96 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.923 1.689 . . . . 0.0 110.622 176.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.83 -24.69 62.35 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 165.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -43.22 36.04 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.281 1.4 . . . . 0.0 111.787 170.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.02 -35.77 81.34 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.124 0.874 . . . . 0.0 112.39 176.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 64.3 t -89.71 -35.26 7.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.805 1.242 . . . . 0.0 112.747 -178.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -77.65 -32.3 46.74 Favored Glycine 0 N--CA 1.47 0.939 0 CA-C-N 119.249 0.931 . . . . 0.0 113.027 176.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -64.31 -20.24 65.1 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.788 1.185 . . . . 0.0 113.819 169.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.8 t -136.95 53.86 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.952 1.701 . . . . 0.0 109.828 176.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.46 117.91 6.02 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 121.249 -0.907 . . . . 0.0 111.184 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 56.21 112.24 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 127.243 2.217 . . . . 0.0 115.092 -169.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 164.08 -37.94 0.31 Allowed Glycine 0 N--CA 1.473 1.121 0 O-C-N 121.192 -0.943 . . . . 0.0 114.328 171.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -101.26 -75.27 0.59 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.289 1.036 . . . . 0.0 110.707 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.6 p 169.92 179.97 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 127.511 2.324 . . . . 0.0 111.499 177.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.39 -31.19 1.57 Allowed 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 162.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.2 m -66.91 -32.58 73.93 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.809 1.64 . . . . 0.0 113.553 175.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.62 -47.41 69.73 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 119.235 0.925 . . . . 0.0 111.42 171.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.65 -46.68 74.93 Favored 'General case' 0 C--O 1.221 -0.442 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -178.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.41 ' HB1' ' CD2' ' A' ' 30' ' ' LEU . . . -52.4 -53.46 44.79 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.387 1.475 . . . . 0.0 113.542 172.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -68.62 -38.51 80.61 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.11 -0.947 . . . . 0.0 111.681 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.92 -37.9 89.18 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.86 1.209 . . . . 0.0 112.672 174.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.503 ' HA ' HD11 ' A' ' 76' ' ' LEU . 40.3 mt -64.62 -54.48 29.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 126.091 1.756 . . . . 0.0 110.353 174.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.16 -49.22 77.76 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.311 0.644 . . . . 0.0 110.92 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.1 mtt-85 -54.62 -56.88 14.46 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.834 1.253 . . . . 0.0 111.473 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.21 81.19 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 120.381 1.446 . . . . 0.0 113.47 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.11 -47.61 82.72 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.557 -0.714 . . . . 0.0 112.5 171.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -84.01 -23.26 52.88 Favored Glycine 0 CA--C 1.532 1.113 0 N-CA-C 115.141 0.816 . . . . 0.0 115.141 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -53.52 -40.18 65.24 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.988 1.394 . . . . 0.0 109.833 163.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.15 -34.42 68.49 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 175.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.41 -39.62 94.2 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 120.941 -1.099 . . . . 0.0 111.528 172.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.75 0 C-N-CA 125.467 1.507 . . . . 0.0 111.758 174.571 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.483 1.201 0 CA-C-O 121.048 0.451 . . . . 0.0 111.954 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 17.4 tp -100.61 123.0 44.23 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.141 1.776 . . . . 0.0 109.653 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -141.48 41.65 1.74 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.357 1.463 . . . . 0.0 111.209 -173.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 59.28 13.33 3.04 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 -177.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -112.1 -37.09 1.55 Allowed Glycine 0 N--CA 1.471 1.03 0 C-N-CA 124.984 1.278 . . . . 0.0 113.536 -176.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.85 32.18 6.31 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.63 1.972 . . . . 0.0 110.48 174.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.06 -58.43 7.93 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.85 1.26 . . . . 0.0 111.874 175.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 25.5 p -67.93 -32.24 72.56 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 176.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.57 -54.34 20.71 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.468 0.576 . . . . 0.0 112.034 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.44 -44.24 65.2 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-O 117.337 -1.316 . . . . 0.0 111.96 178.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -74.36 -35.64 63.55 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 120.908 1.686 . . . . 0.0 113.04 -176.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.9 -52.23 50.19 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.17 -1.172 . . . . 0.0 110.17 166.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 70.6 m -63.29 -36.73 84.64 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-O 117.709 -1.139 . . . . 0.0 114.073 175.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.509 ' HA ' HD21 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -68.29 -45.91 71.76 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 121.593 1.997 . . . . 0.0 111.13 177.776 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.428 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . . . -58.22 -51.51 69.47 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.76 0.824 . . . . 0.0 111.589 172.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -31.55 72.09 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 118.319 -0.848 . . . . 0.0 112.961 175.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -79.35 -44.88 20.69 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 119.87 1.214 . . . . 0.0 111.505 -177.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.4 tt -62.4 -44.24 96.91 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.094 0.957 . . . . 0.0 109.98 172.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.0 p -67.01 -45.21 78.23 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-O 117.845 -1.074 . . . . 0.0 112.686 174.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.81 -39.75 90.15 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 120.936 1.698 . . . . 0.0 112.114 174.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 37.2 m -59.3 -43.81 92.59 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-O 117.449 -1.263 . . . . 0.0 110.66 169.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.8 -41.56 97.91 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 121.108 1.776 . . . . 0.0 113.677 170.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -61.51 -41.2 96.96 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.831 1.196 . . . . 0.0 111.934 176.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 74.9 m -78.75 -31.23 46.18 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.777 1.231 . . . . 0.0 112.42 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -67.57 -20.25 65.37 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 117.277 -1.344 . . . . 0.0 112.093 172.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 70.3 m -53.38 -30.14 38.31 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 121.04 1.746 . . . . 0.0 113.325 164.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -77.56 -37.32 50.91 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.717 0.807 . . . . 0.0 112.981 172.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -81.34 -38.49 26.62 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -178.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -74.53 -24.91 59.03 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.775 1.63 . . . . 0.0 112.847 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.15 24.64 11.26 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.882 1.673 . . . . 0.0 111.512 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -6.07 3.63 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -51.7 -33.02 32.44 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.852 1.661 . . . . 0.0 112.933 169.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -84.19 -43.36 15.02 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 118.007 -0.997 . . . . 0.0 112.489 167.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -54.44 -29.17 48.62 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 -173.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -41.83 81.09 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.898 0.772 . . . . 0.0 112.521 172.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -76.32 155.18 34.44 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.079 -1.013 . . . . 0.0 110.738 166.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.2 t 65.54 -13.62 0.13 Allowed 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 116.32 1.97 . . . . 0.0 116.32 -176.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -106.33 -35.4 7.16 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.917 1.235 . . . . 0.0 112.769 168.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 11.0 t80 . . . . . 0 N--CA 1.473 0.718 0 O-C-N 121.345 -0.847 . . . . 0.0 112.39 177.596 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.534 ' CD1' ' HB2' ' A' ' 112' ' ' ALA . 48.9 p90 . . . . . 0 N--CA 1.471 0.592 0 N-CA-C 114.248 1.203 . . . . 0.0 114.248 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.2 m -54.23 -27.8 37.0 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 175.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.0 p -102.35 -31.04 10.7 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.706 0.685 . . . . 0.0 112.396 170.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.95 -42.12 97.63 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.46 1.027 . . . . 0.0 112.228 176.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.48 ' CE1' ' HA3' ' A' ' 101' ' ' GLY . 0.2 OUTLIER -64.94 -47.86 76.18 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 118.642 0.655 . . . . 0.0 110.511 173.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.43 -20.54 63.78 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.093 -1.004 . . . . 0.0 113.272 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -89.94 -36.73 14.83 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.009 1.324 . . . . 0.0 112.259 171.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.03 -26.86 66.98 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 120.768 -1.208 . . . . 0.0 113.232 171.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.04 -46.24 52.86 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.001 0.92 . . . . 0.0 111.731 162.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 t -58.85 -31.17 68.27 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.207 1.003 . . . . 0.0 113.456 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.6 t -57.06 -38.9 73.93 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 121.384 -0.823 . . . . 0.0 112.521 173.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.7 -35.78 16.56 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.302 1.041 . . . . 0.0 113.31 177.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.497 ' HG ' HG21 ' A' ' 36' ' ' ILE . 2.1 tp -61.2 -42.61 98.89 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.929 1.291 . . . . 0.0 111.495 176.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.28 -22.84 65.63 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.672 1.189 . . . . 0.0 113.595 171.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -17.02 62.14 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.911 1.284 . . . . 0.0 113.292 175.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -142.93 88.15 2.03 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.239 1.015 . . . . 0.0 112.331 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.4 t -52.46 -21.09 3.35 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.634 1.574 . . . . 0.0 114.603 177.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.06 -24.14 65.98 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 120.332 -1.48 . . . . 0.0 114.496 173.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.497 HG21 ' HG ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -65.15 -36.32 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 O-C-N 120.819 -1.176 . . . . 0.0 111.046 169.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.9 m -69.44 -36.3 76.51 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 120.892 -1.13 . . . . 0.0 112.009 173.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -32.7 69.44 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.063 -1.023 . . . . 0.0 112.312 169.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.545 ' HB2' ' HB1' ' A' ' 130' ' ' ALA . . . -56.62 -49.85 73.74 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.776 0.83 . . . . 0.0 112.413 176.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 89' ' ' ALA . 2.6 p90 -70.22 -35.53 73.94 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 118.697 -0.668 . . . . 0.0 111.611 172.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.92 -23.81 67.49 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 120.183 1.356 . . . . 0.0 114.063 -177.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.4 m -66.18 -3.55 5.88 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.124 1.37 . . . . 0.0 114.646 169.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -142.97 155.65 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 126.516 1.926 . . . . 0.0 111.027 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 64.5 p -146.57 31.79 0.97 Allowed 'General case' 0 N--CA 1.479 0.985 0 O-C-N 120.532 -1.355 . . . . 0.0 113.456 -172.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.9 t -142.33 137.82 30.82 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.503 1.521 . . . . 0.0 110.814 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.3 -43.6 88.17 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -177.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.2 m -72.89 -27.78 62.1 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.208 1.003 . . . . 0.0 113.533 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.36 -30.84 27.12 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.126 -0.984 . . . . 0.0 111.958 173.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.93 -32.86 74.77 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.208 -0.933 . . . . 0.0 112.027 168.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.7 p -65.07 -38.17 89.92 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.275 -0.891 . . . . 0.0 112.338 168.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.1 t -66.88 -35.67 80.55 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.453 1.024 . . . . 0.0 113.534 171.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 22.2 tp -59.7 -59.49 5.35 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.757 0.823 . . . . 0.0 109.938 169.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.43 ' HB1' HD23 ' A' ' 76' ' ' LEU . . . -64.92 -26.13 68.18 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -177.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -61.14 -61.59 2.45 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.86 0.864 . . . . 0.0 110.294 166.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -61.84 -51.13 69.49 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.015 0.926 . . . . 0.0 113.3 -177.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.7 mm -68.64 -36.11 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 124.067 0.947 . . . . 0.0 110.747 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.38 -40.1 91.62 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-N 119.602 1.092 . . . . 0.0 113.306 176.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.44 -48.82 79.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.435 1.094 . . . . 0.0 110.354 171.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.0 t -66.38 -38.38 87.39 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 176.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.98 -51.8 59.73 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.471 1.108 . . . . 0.0 111.484 177.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.52 -49.0 68.51 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.076 0.95 . . . . 0.0 111.513 173.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -57.04 -47.64 80.43 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.63 0.772 . . . . 0.0 112.525 174.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.5 t -57.29 -36.46 71.08 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.351 1.461 . . . . 0.0 112.656 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.524 HD11 ' HA ' ' A' ' 122' ' ' PHE . 8.6 mt -79.9 -33.94 39.48 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.396 1.478 . . . . 0.0 113.016 175.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.73 2.19 19.21 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 126.081 1.8 . . . . 0.0 114.779 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.3 mp -68.17 107.14 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 C-N-CA 125.607 1.563 . . . . 0.0 110.057 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.56 -9.88 55.83 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 173.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.2 t -68.7 -0.82 5.75 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.186 0.994 . . . . 0.0 113.328 166.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.8 p30 -35.12 -51.39 0.54 Allowed 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.4 t -65.13 -42.61 93.7 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.706 1.602 . . . . 0.0 114.228 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.81 -40.86 60.84 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.222 1.009 . . . . 0.0 111.567 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.6 tp -62.3 -42.94 99.79 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 125.045 1.338 . . . . 0.0 111.518 172.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.71 -41.34 70.17 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 120.474 1.488 . . . . 0.0 111.81 175.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -74.34 2.54 44.92 Favored Glycine 0 CA--C 1.545 1.965 0 C-N-CA 125.622 1.582 . . . . 0.0 115.973 172.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -124.38 -34.09 2.95 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.736 1.614 . . . . 0.0 112.807 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.43 HD23 ' HB1' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -62.57 -41.48 98.96 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.74 1.616 . . . . 0.0 110.561 167.8 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.61 -37.04 67.61 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.531 1.133 . . . . 0.0 112.811 171.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -74.28 -27.32 60.68 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.298 1.039 . . . . 0.0 113.124 176.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.7 -57.12 4.03 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.198 0.908 . . . . 0.0 111.619 171.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.405 HG11 ' CB ' ' A' ' 53' ' ' ALA . 6.0 p -67.1 -32.13 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 O-C-N 121.429 -0.794 . . . . 0.0 112.527 -178.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -85.96 -26.25 35.11 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 124.675 1.131 . . . . 0.0 112.748 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -65.24 -25.54 71.17 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 124.226 0.917 . . . . 0.0 113.349 168.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 t -134.19 41.57 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 125.599 1.56 . . . . 0.0 110.833 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -90.15 153.86 23.21 Favored Glycine 0 CA--C 1.536 1.36 0 O-C-N 121.063 -1.023 . . . . 0.0 112.672 178.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 39.03 66.66 0.52 Allowed 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.684 1.994 . . . . 0.0 115.294 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -173.74 -35.55 0.04 OUTLIER Glycine 0 N--CA 1.475 1.256 0 N-CA-C 115.694 1.038 . . . . 0.0 115.694 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.39 -74.85 0.44 Allowed 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.051 0.926 . . . . 0.0 111.952 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.7 t 162.3 172.76 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 128.847 2.859 . . . . 0.0 110.099 -176.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . . . -40.31 -34.33 0.32 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.76 1.624 . . . . 0.0 114.069 157.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -59.13 -45.63 90.45 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.292 0.951 . . . . 0.0 111.576 176.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.71 -37.75 67.7 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 118.004 -0.998 . . . . 0.0 112.634 173.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -63.61 -51.8 63.67 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 120.223 1.374 . . . . 0.0 110.053 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.87 -48.9 74.74 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.389 1.476 . . . . 0.0 113.101 172.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -65.12 -38.93 92.23 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 119.352 0.978 . . . . 0.0 111.954 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.57 -46.32 76.39 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.754 1.161 . . . . 0.0 112.249 175.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 51.5 mt -59.3 -52.69 57.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 126.192 1.797 . . . . 0.0 110.405 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.86 -49.14 66.64 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.493 1.117 . . . . 0.0 112.454 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -58.69 -43.15 89.93 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.313 0.96 . . . . 0.0 111.003 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.36 88.12 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 119.629 1.104 . . . . 0.0 112.797 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.407 ' HB1' ' CG ' ' A' ' 122' ' ' PHE . . . -52.69 -47.77 67.0 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.366 0.666 . . . . 0.0 111.414 172.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.48 ' HA3' ' CE1' ' A' ' 22' ' ' PHE . . . -83.2 -20.26 61.02 Favored Glycine 0 CA--C 1.537 1.422 0 CA-C-O 118.247 -1.307 . . . . 0.0 115.762 177.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -55.72 -45.3 77.97 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 120.348 2.074 . . . . 0.0 109.87 169.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -62.81 -44.68 95.52 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 76.2 mt -59.57 -41.51 90.35 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.505 1.048 . . . . 0.0 112.109 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.774 0 C-N-CA 125.186 1.394 . . . . 0.0 112.13 174.609 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 121.212 0.529 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 15.7 tp -94.08 122.48 36.64 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.817 1.647 . . . . 0.0 109.548 173.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -131.1 26.19 4.9 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.82 1.248 . . . . 0.0 112.75 -172.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.534 ' HB2' ' CD1' ' A' ' 18' ' ' TYR . . . 60.79 25.65 15.5 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.805 1.642 . . . . 0.0 115.205 -177.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -135.62 -27.66 0.43 Allowed Glycine 0 N--CA 1.477 1.372 0 C-N-CA 125.342 1.448 . . . . 0.0 114.221 178.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -114.28 31.78 6.37 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.35 1.86 . . . . 0.0 111.17 171.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.51 -54.3 48.44 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.154 1.382 . . . . 0.0 112.867 177.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 52.8 p -69.24 -32.43 71.64 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.29 -54.72 21.51 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.107 0.563 . . . . 0.0 111.614 175.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.55 -51.01 55.82 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.394 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -73.99 -31.91 63.18 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.953 1.252 . . . . 0.0 113.11 -175.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -60.85 -45.68 96.04 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 166.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.4 t -63.49 -42.35 98.53 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.286 1.043 . . . . 0.0 112.294 173.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.524 ' HA ' HD11 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -64.22 -43.38 95.15 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 120.423 1.465 . . . . 0.0 111.891 178.766 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.67 -56.18 25.21 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.732 1.213 . . . . 0.0 111.785 171.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.7 ptt85 -62.15 -28.32 69.57 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 118.698 -0.668 . . . . 0.0 112.243 177.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.98 -38.94 64.0 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 124.384 1.074 . . . . 0.0 111.322 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -40.12 83.61 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 119.105 0.866 . . . . 0.0 111.571 164.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.5 m -62.97 -51.86 65.22 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.943 0.792 . . . . 0.0 111.919 172.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.82 -40.08 94.62 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.707 1.203 . . . . 0.0 112.626 -177.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 95.9 p -68.5 -40.85 80.69 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-O 117.31 -1.328 . . . . 0.0 111.239 171.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.545 ' HB1' ' HB2' ' A' ' 39' ' ' ALA . . . -61.14 -42.0 97.77 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 121.442 1.928 . . . . 0.0 114.042 172.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -57.99 -37.17 73.75 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.285 1.434 . . . . 0.0 111.922 175.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 74.8 m -82.76 -37.74 24.19 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.458 1.103 . . . . 0.0 113.127 173.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -67.35 -15.51 63.72 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.414 1.486 . . . . 0.0 112.317 176.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 35.6 t -49.68 -38.63 33.51 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 120.272 1.396 . . . . 0.0 112.088 162.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -21.04 64.51 Favored 'General case' 0 CA--C 1.551 0.996 0 O-C-N 120.366 -1.459 . . . . 0.0 114.212 172.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -112.6 -16.73 12.77 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 126.089 1.756 . . . . 0.0 113.969 -177.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -103.95 -24.54 13.24 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 127.0 2.12 . . . . 0.0 111.904 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 15.4 m -114.43 21.43 14.6 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.489 1.916 . . . . 0.0 111.407 175.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -63.01 15.3 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.461 1.504 . . . . 0.0 114.74 174.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -50.27 -28.41 7.68 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 126.003 1.721 . . . . 0.0 114.031 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -77.61 -49.43 14.61 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.201 1.401 . . . . 0.0 112.853 168.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -73.64 -22.4 60.0 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -174.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.85 -26.37 37.03 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.313 1.445 . . . . 0.0 113.416 175.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -58.83 142.71 49.65 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.069 0.85 . . . . 0.0 111.517 -178.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.5 t 85.85 -32.23 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 128.712 2.805 . . . . 0.0 113.344 -169.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -97.5 -48.5 5.25 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.907 0.883 . . . . 0.0 112.216 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.472 0.625 0 C-N-CA 124.61 1.164 . . . . 0.0 112.806 177.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.508 ' CD2' ' HB2' ' A' ' 112' ' ' ALA . 3.2 p90 . . . . . 0 CA--C 1.537 0.477 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.4 t -72.42 -37.18 68.69 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.782 1.233 . . . . 0.0 112.48 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.0 t -83.64 -38.92 20.91 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.957 0.903 . . . . 0.0 111.578 173.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.8 -30.83 71.12 Favored 'General case' 0 CA--C 1.55 0.967 0 O-C-N 121.129 -0.982 . . . . 0.0 113.307 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.534 ' CD2' HD11 ' A' ' 110' ' ' LEU . 12.6 t80 -52.67 -55.42 22.72 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.942 1.297 . . . . 0.0 109.822 162.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.24 -19.95 65.0 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -172.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -78.78 -39.9 34.66 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.426 1.091 . . . . 0.0 113.332 170.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.55 -31.64 71.0 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.014 -1.054 . . . . 0.0 112.545 173.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.483 ' HB1' ' HB2' ' A' ' 123' ' ' ALA . . . -52.79 -48.56 66.78 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.172 0.989 . . . . 0.0 110.835 163.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.99 -30.94 38.09 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 175.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.97 -37.93 81.05 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.92 1.236 . . . . 0.0 113.182 175.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.67 -32.46 14.73 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.732 0.813 . . . . 0.0 112.733 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.88 -43.33 94.83 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.532 0.733 . . . . 0.0 110.739 171.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.13 -22.06 66.37 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.574 1.149 . . . . 0.0 113.97 173.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.28 -13.7 61.98 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.721 1.208 . . . . 0.0 112.732 172.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.5 t -135.18 82.85 1.98 Allowed 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 126.02 1.728 . . . . 0.0 110.085 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.4 t -53.69 -25.47 18.4 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.09 0.956 . . . . 0.0 113.081 175.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.5 -19.48 9.86 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 169.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.5 tp -59.12 -42.06 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-N 120.038 1.29 . . . . 0.0 111.997 168.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.7 t -69.06 -36.75 78.01 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.806 0.843 . . . . 0.0 109.827 175.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -62.54 -28.14 69.65 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.04 -1.038 . . . . 0.0 113.635 173.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.468 ' HB2' ' HB1' ' A' ' 130' ' ' ALA . . . -60.46 -51.65 68.55 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.789 0.836 . . . . 0.0 111.772 171.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -45.04 95.26 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 118.705 -0.664 . . . . 0.0 110.493 172.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.14 -20.28 57.69 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -65.55 -22.99 66.76 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.443 1.497 . . . . 0.0 114.057 173.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.87 158.2 39.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 126.92 2.088 . . . . 0.0 110.565 -179.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.16 39.53 1.77 Allowed 'General case' 0 N--CA 1.477 0.903 0 O-C-N 120.687 -1.258 . . . . 0.0 112.222 -174.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 m -144.16 135.73 25.86 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.572 1.549 . . . . 0.0 111.419 -175.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.52 -45.86 84.49 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.474 1.51 . . . . 0.0 113.429 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.31 -36.6 58.23 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.604 0.762 . . . . 0.0 112.022 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.43 -30.95 70.83 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.13 -0.982 . . . . 0.0 112.926 174.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.24 86.66 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.435 -0.79 . . . . 0.0 112.19 169.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -41.99 85.0 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.275 0.63 . . . . 0.0 111.342 168.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.6 m -65.75 -39.88 91.53 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 172.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 22.5 tp -57.2 -54.09 50.71 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 120.102 1.319 . . . . 0.0 110.279 171.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.54 -37.25 85.36 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.153 -0.967 . . . . 0.0 112.775 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -61.53 -50.99 70.46 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.985 1.266 . . . . 0.0 111.265 173.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -62.02 -46.88 87.25 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.268 1.427 . . . . 0.0 112.513 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 26.2 mm -84.38 -36.8 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 124.045 0.938 . . . . 0.0 111.4 -175.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.51 -32.43 68.76 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 125.122 1.344 . . . . 0.0 113.013 172.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 tp -57.2 -50.99 71.11 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 117.734 0.767 . . . . 0.0 111.225 169.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.8 t -70.02 -33.54 72.14 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.236 1.014 . . . . 0.0 113.037 177.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.21 -52.62 61.53 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.314 1.046 . . . . 0.0 111.976 177.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.87 -45.69 82.31 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.415 0.686 . . . . 0.0 110.802 173.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.2 ttt85 -59.62 -40.62 88.18 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.5 t -62.45 -34.83 77.57 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.885 1.674 . . . . 0.0 112.416 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.659 HD21 ' HA ' ' A' ' 122' ' ' PHE . 4.3 mm? -85.87 -12.77 49.86 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.977 1.311 . . . . 0.0 112.449 174.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.49 6.26 80.96 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.929 1.728 . . . . 0.0 114.47 -176.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 44.9 mm -68.28 108.02 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 126.514 1.926 . . . . 0.0 109.8 175.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.84 -6.08 35.29 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.332 1.053 . . . . 0.0 113.752 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.9 m -79.84 18.51 0.79 Allowed 'General case' 0 C--O 1.223 -0.342 0 C-N-CA 125.44 1.496 . . . . 0.0 112.47 170.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -43.59 -51.51 6.86 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.63 1.172 . . . . 0.0 112.943 172.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.4 t -64.55 -43.97 92.26 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 177.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.37 -43.41 70.17 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.918 0.887 . . . . 0.0 111.94 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.3 tp -63.92 -45.5 88.95 Favored 'General case' 0 C--O 1.214 -0.77 0 C-N-CA 124.902 1.281 . . . . 0.0 110.865 171.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.3 -34.62 66.67 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 121.29 1.859 . . . . 0.0 111.868 176.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.62 -2.31 68.94 Favored Glycine 0 CA--C 1.545 1.96 0 C-N-CA 125.809 1.671 . . . . 0.0 116.315 170.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.95 -24.79 5.51 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 126.636 1.975 . . . . 0.0 112.885 176.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.503 HD11 ' HA ' ' A' ' 96' ' ' ILE . 12.7 tp -74.25 -41.69 60.88 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 126.983 2.113 . . . . 0.0 109.94 175.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.12 -29.83 23.6 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.837 1.655 . . . . 0.0 113.248 166.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -83.77 -35.55 24.25 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.329 1.052 . . . . 0.0 112.489 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.0 -51.14 27.23 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.697 -0.627 . . . . 0.0 111.272 173.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.6 p -65.24 -38.53 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.304 0.641 . . . . 0.0 111.653 176.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -76.03 -25.79 65.86 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.663 1.125 . . . . 0.0 113.043 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.07 -20.95 60.94 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.25 1.405 . . . . 0.0 113.811 170.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 t -132.25 38.71 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.757 1.623 . . . . 0.0 110.258 174.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.36 89.28 0.08 OUTLIER Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.885 1.231 . . . . 0.0 112.574 176.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 67.07 104.34 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 127.998 2.519 . . . . 0.0 113.403 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 168.13 -21.23 0.09 OUTLIER Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.672 1.13 . . . . 0.0 114.113 -176.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -120.32 -71.77 0.72 Allowed 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 117.461 -1.257 . . . . 0.0 112.243 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.4 t 156.61 -179.54 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 128.819 2.848 . . . . 0.0 110.702 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -43.54 -29.53 0.48 Allowed 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 125.241 1.416 . . . . 0.0 113.599 161.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.7 m -64.02 -37.37 87.16 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 121.343 1.883 . . . . 0.0 113.729 173.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.99 89.43 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 119.098 0.863 . . . . 0.0 111.692 171.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -74.85 -44.98 46.16 Favored 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 123.287 0.635 . . . . 0.0 109.499 -177.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.39 -53.33 59.38 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 126.798 2.039 . . . . 0.0 111.423 173.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.64 -37.64 82.73 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 117.71 -1.138 . . . . 0.0 111.841 177.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.56 -48.22 73.15 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-N 120.547 1.521 . . . . 0.0 111.057 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.503 ' HA ' HD11 ' A' ' 76' ' ' LEU . 66.5 mt -59.97 -47.69 90.7 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.424 0 C-N-CA 125.536 1.534 . . . . 0.0 110.112 175.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.15 -38.4 75.48 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.257 0.935 . . . . 0.0 113.483 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -63.43 -56.72 13.91 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 120.692 -1.255 . . . . 0.0 109.465 171.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.481 ' HB3' HD12 ' A' ' 76' ' ' LEU . . . -60.99 -35.14 76.04 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.965 1.257 . . . . 0.0 114.267 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -52.2 -62.78 1.42 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.515 1.126 . . . . 0.0 109.923 166.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.56 -30.04 75.78 Favored Glycine 0 CA--C 1.532 1.119 0 CA-C-O 119.137 -0.813 . . . . 0.0 114.398 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -56.73 -47.47 79.94 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.778 1.631 . . . . 0.0 109.93 175.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -66.15 -41.18 90.76 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.53 -41.21 93.33 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.556 0.742 . . . . 0.0 111.874 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.646 0 C-N-CA 126.468 1.907 . . . . 0.0 112.913 172.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 48.5 t . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 121.131 0.491 . . . . 0.0 110.676 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.534 HD11 ' CD2' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -87.69 125.42 34.39 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.218 1.007 . . . . 0.0 109.791 178.469 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -136.41 25.89 3.17 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.988 1.315 . . . . 0.0 111.628 -173.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.508 ' HB2' ' CD2' ' A' ' 18' ' ' TYR . . . 50.96 43.71 28.7 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.473 1.509 . . . . 0.0 114.054 -177.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -153.78 -42.31 0.02 OUTLIER Glycine 0 N--CA 1.474 1.205 0 C-N-CA 124.221 0.915 . . . . 0.0 112.778 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.05 9.95 42.46 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.343 1.457 . . . . 0.0 112.478 168.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.31 -52.47 65.49 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.699 1.136 . . . . 0.0 110.954 -178.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.1 t -62.34 -39.4 92.98 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.081 -1.012 . . . . 0.0 113.461 175.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.28 -52.22 65.62 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.428 0.691 . . . . 0.0 111.824 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.51 -30.99 67.9 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 117.542 -1.218 . . . . 0.0 112.281 175.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.51 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . . . -64.78 -52.38 57.22 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 120.389 1.449 . . . . 0.0 112.563 177.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -52.41 -49.6 50.94 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 172.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 34.8 m -59.76 -38.66 82.39 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 173.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.659 ' HA ' HD21 ' A' ' 64' ' ' LEU . 1.2 t80 -66.76 -47.64 71.59 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 121.246 1.839 . . . . 0.0 111.975 178.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.483 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . . . -59.15 -56.52 21.09 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 123.824 0.85 . . . . 0.0 111.243 174.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -32.81 68.13 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 119.039 -0.505 . . . . 0.0 111.728 174.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.84 -49.66 67.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 120.198 1.363 . . . . 0.0 111.649 176.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.418 HD13 ' CG2' ' A' ' 96' ' ' ILE . 0.0 OUTLIER -61.95 -36.09 80.38 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.662 0.785 . . . . 0.0 112.347 172.676 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.94 -43.24 79.59 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 118.619 -0.705 . . . . 0.0 111.14 175.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.35 -45.08 77.41 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.458 1.503 . . . . 0.0 112.339 176.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.3 p -62.94 -42.57 99.85 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 117.624 -1.179 . . . . 0.0 111.022 173.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.468 ' HB1' ' HB2' ' A' ' 39' ' ' ALA . . . -64.01 -43.38 95.8 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 120.878 1.672 . . . . 0.0 114.293 172.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -59.47 -44.96 92.9 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.164 1.785 . . . . 0.0 111.467 175.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 69.9 m -72.8 -35.83 67.45 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 123.346 0.658 . . . . 0.0 111.399 174.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -63.03 -17.14 61.9 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 120.108 -1.62 . . . . 0.0 113.291 172.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 46.1 m -57.32 -26.28 60.66 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 120.504 1.502 . . . . 0.0 113.187 163.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -48.48 45.03 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.061 0.944 . . . . 0.0 111.46 167.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.98 -32.07 61.6 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -174.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -70.93 -29.89 66.05 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.688 1.195 . . . . 0.0 112.547 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 66.3 m -120.11 31.19 6.62 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.382 1.873 . . . . 0.0 110.374 -176.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.96 0.68 4.18 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 178.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -46.89 -30.05 2.32 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.782 2.033 . . . . 0.0 113.639 174.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -111.71 -29.67 7.62 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.325 1.05 . . . . 0.0 113.745 171.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -56.87 -28.72 62.14 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.38 1.072 . . . . 0.0 111.883 -176.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -50.84 -27.18 6.84 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 170.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -133.23 37.82 3.35 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.822 1.649 . . . . 0.0 111.547 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.74 -31.58 0.09 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.546 1.138 . . . . 0.0 113.384 176.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -97.56 -44.64 6.73 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 125.36 1.464 . . . . 0.0 111.522 174.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.545 0.76 0 CA-C-N 118.96 0.8 . . . . 0.0 112.037 176.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.0 p90 . . . . . 0 C--O 1.221 -0.404 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 98.0 p -66.19 -37.14 84.88 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.923 1.238 . . . . 0.0 113.402 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.3 p -90.75 -37.91 13.37 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.365 1.066 . . . . 0.0 111.753 176.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.65 -29.8 70.41 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.746 0.818 . . . . 0.0 113.194 174.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.425 ' CD2' ' HB2' ' A' ' 119' ' ' ALA . 10.6 t80 -53.04 -59.92 3.93 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.997 1.319 . . . . 0.0 109.822 163.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.17 -11.26 28.89 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -172.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.94 -46.98 49.46 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.627 1.571 . . . . 0.0 112.706 169.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.33 -23.78 57.3 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.4 1.08 . . . . 0.0 112.95 174.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.454 ' HB1' ' HB2' ' A' ' 123' ' ' ALA . . . -53.62 -46.55 70.51 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.309 0.644 . . . . 0.0 110.027 164.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.01 -29.7 44.42 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 173.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.9 m -60.81 -36.01 77.97 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 120.099 1.318 . . . . 0.0 113.165 176.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.68 -33.98 14.84 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.053 0.941 . . . . 0.0 112.458 176.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.488 ' CD1' ' HB1' ' A' ' 123' ' ' ALA . 0.4 OUTLIER -61.3 -41.34 96.83 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.538 0.735 . . . . 0.0 112.081 173.649 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.83 -21.08 66.45 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.222 1.409 . . . . 0.0 113.556 172.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.63 -14.31 59.99 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.251 1.421 . . . . 0.0 112.435 171.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.8 m -141.71 69.9 1.33 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.493 1.517 . . . . 0.0 112.132 -174.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.1 p -54.98 -19.12 6.08 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 175.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.29 -21.46 3.52 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.451 1.5 . . . . 0.0 114.144 167.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -42.74 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 119.319 0.963 . . . . 0.0 112.292 171.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.9 m -67.25 -29.89 69.64 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.928 0.891 . . . . 0.0 110.421 178.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.2 -33.76 76.18 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.576 1.15 . . . . 0.0 113.494 171.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.95 -46.89 82.7 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.505 0.593 . . . . 0.0 111.233 175.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -69.76 -28.44 65.78 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 113.04 0.755 . . . . 0.0 113.04 174.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.03 -20.85 64.14 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 119.196 0.907 . . . . 0.0 113.051 171.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.0 t -73.7 -29.44 62.28 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.777 1.231 . . . . 0.0 113.33 176.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -109.86 153.49 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 126.27 1.828 . . . . 0.0 110.97 178.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.13 41.49 1.18 Allowed 'General case' 0 N--CA 1.48 1.064 0 O-C-N 120.595 -1.315 . . . . 0.0 112.614 -175.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 m -144.26 135.96 25.94 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.825 1.65 . . . . 0.0 110.528 -174.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.82 -48.99 79.44 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.107 0.963 . . . . 0.0 113.021 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -36.94 69.58 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.178 0.991 . . . . 0.0 112.484 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.63 -32.56 68.1 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.653 -1.28 . . . . 0.0 112.877 175.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.84 -38.5 89.04 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.373 -0.83 . . . . 0.0 111.495 170.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.63 -39.9 95.29 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.491 0.587 . . . . 0.0 112.289 170.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.1 t -60.83 -46.82 89.06 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 118.344 -0.836 . . . . 0.0 111.841 170.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 tt -60.72 -43.79 97.42 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 120.269 1.395 . . . . 0.0 112.209 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.708 ' HB1' HD23 ' A' ' 76' ' ' LEU . . . -56.92 -40.95 77.29 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 120.948 -1.095 . . . . 0.0 113.22 170.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -64.36 -49.16 72.74 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.302 0.956 . . . . 0.0 111.394 170.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.79 -45.58 85.66 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.88 1.672 . . . . 0.0 112.61 -171.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.415 HG22 HD22 ' A' ' 126' ' ' LEU . 10.0 mm -86.19 -35.93 9.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 125.791 1.636 . . . . 0.0 109.317 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.92 -38.23 88.04 Favored Glycine 0 N--CA 1.477 1.394 0 C-N-CA 125.77 1.652 . . . . 0.0 113.597 172.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.4 -47.5 72.66 Favored 'General case' 0 C--O 1.224 -0.243 0 C-N-CA 123.221 0.608 . . . . 0.0 110.851 167.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 t -69.08 -33.9 74.26 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.01 -49.73 75.86 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 121.1 1.773 . . . . 0.0 111.666 173.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.84 -48.3 72.09 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 119.235 -0.412 . . . . 0.0 112.092 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -62.42 -37.13 84.65 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.95 1.3 . . . . 0.0 114.334 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.1 t -59.51 -36.61 76.43 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.066 1.746 . . . . 0.0 112.094 173.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 79.0 mt -88.97 -11.99 42.8 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.052 1.341 . . . . 0.0 113.212 175.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.96 7.37 70.65 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 126.414 1.959 . . . . 0.0 114.756 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 25.9 mm -65.35 107.59 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 126.384 1.874 . . . . 0.0 109.922 176.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.9 -10.77 55.91 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.401 1.08 . . . . 0.0 113.775 175.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.6 m -70.85 2.15 4.63 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-O 117.914 -1.041 . . . . 0.0 112.759 166.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.3 p30 -40.22 -55.61 2.12 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 120.767 1.621 . . . . 0.0 114.572 173.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.8 t -64.74 -41.26 96.06 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.438 1.095 . . . . 0.0 113.449 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.27 -43.19 57.92 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.5 1.12 . . . . 0.0 111.987 -177.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -47.84 76.41 Favored 'General case' 0 C--O 1.216 -0.658 0 C-N-CA 126.737 2.015 . . . . 0.0 109.961 173.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.4 -42.62 61.57 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 120.637 1.562 . . . . 0.0 112.115 171.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -70.88 -2.93 48.83 Favored Glycine 0 CA--C 1.542 1.756 0 C-N-CA 125.722 1.63 . . . . 0.0 116.208 172.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -116.91 -26.76 6.79 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 127.397 2.279 . . . . 0.0 112.533 174.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.708 HD23 ' HB1' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -69.88 -44.84 68.94 Favored 'General case' 0 CA--C 1.523 -0.076 0 C-N-CA 126.502 1.921 . . . . 0.0 110.335 174.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.68 -27.55 28.34 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.08 1.352 . . . . 0.0 112.782 168.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -37.35 50.33 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.789 -1.194 . . . . 0.0 112.247 174.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.37 -51.94 31.95 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.723 0.692 . . . . 0.0 111.754 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.609 HG11 ' HB2' ' A' ' 53' ' ' ALA . 8.0 p -69.06 -35.47 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 O-C-N 121.622 -0.674 . . . . 0.0 111.941 175.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.9 -19.0 79.3 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 124.275 0.941 . . . . 0.0 112.771 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -74.91 -9.29 83.48 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 125.349 1.452 . . . . 0.0 114.217 168.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.4 p -137.13 16.56 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.028 1.331 . . . . 0.0 112.67 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -56.98 111.28 2.68 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 124.792 1.187 . . . . 0.0 112.117 -178.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 56.11 105.77 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.964 2.105 . . . . 0.0 114.637 -169.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 166.84 -43.8 0.26 Allowed Glycine 0 N--CA 1.472 1.034 0 O-C-N 121.371 -0.831 . . . . 0.0 113.558 171.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -89.57 -86.88 0.18 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.992 0.917 . . . . 0.0 110.615 174.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.1 p 167.36 -176.72 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 127.564 2.346 . . . . 0.0 111.47 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.04 -26.87 0.49 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 117.295 -1.336 . . . . 0.0 114.043 162.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.6 p -64.37 -48.02 77.07 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 121.376 1.898 . . . . 0.0 111.503 173.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.08 -32.76 69.49 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 117.881 -1.057 . . . . 0.0 111.926 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 -69.86 -52.56 23.83 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 120.012 1.278 . . . . 0.0 109.223 176.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.7 -41.96 82.77 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.248 1.419 . . . . 0.0 113.672 175.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -71.54 -44.09 65.22 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-O 118.295 -0.859 . . . . 0.0 110.748 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.33 -33.52 74.84 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 120.528 1.513 . . . . 0.0 112.088 174.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 32.3 mt -68.73 -58.86 4.52 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 C-N-CA 126.54 1.936 . . . . 0.0 109.391 173.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.48 -44.21 95.06 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 120.599 1.545 . . . . 0.0 113.021 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.5 ptm85 -62.18 -43.01 99.79 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.871 -1.143 . . . . 0.0 112.262 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.23 -37.9 69.06 Favored 'General case' 0 N--CA 1.46 0.075 0 CA-C-N 119.799 1.181 . . . . 0.0 110.966 176.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.413 ' HB1' ' CD1' ' A' ' 122' ' ' PHE . . . -55.13 -36.06 65.36 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 117.376 -1.297 . . . . 0.0 110.544 174.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.424 ' HA3' ' CD1' ' A' ' 22' ' ' PHE . . . -86.91 -27.62 28.32 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 125.349 1.452 . . . . 0.0 115.405 171.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.55 -41.62 81.34 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.508 1.654 . . . . 0.0 109.382 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -65.66 -42.59 91.2 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.533 HD21 ' CE2' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -71.33 -36.38 71.53 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.793 -0.567 . . . . 0.0 111.549 178.037 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.917 0 C-N-CA 124.697 1.199 . . . . 0.0 112.992 170.7 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 74.2 t . . . . . 0 N--CA 1.482 1.126 0 CA-C-O 120.778 0.323 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.415 HD11 ' CD2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -79.77 138.31 37.23 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.614 0.766 . . . . 0.0 111.909 171.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -132.84 23.25 4.25 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.408 1.483 . . . . 0.0 112.348 -174.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 49.35 51.54 16.13 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.596 1.159 . . . . 0.0 113.602 -177.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -166.14 -47.39 0.02 OUTLIER Glycine 0 N--CA 1.472 1.089 0 C-N-CA 124.127 0.87 . . . . 0.0 113.109 -176.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.49 12.94 17.08 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.704 1.201 . . . . 0.0 112.401 165.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.09 -56.43 20.91 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 119.953 1.251 . . . . 0.0 110.295 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 36.5 m -66.83 -35.73 80.72 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.67 -51.24 58.32 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.994 0.918 . . . . 0.0 111.759 177.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.08 -27.79 65.93 Favored 'General case' 0 C--O 1.218 -0.592 0 C-N-CA 124.318 1.047 . . . . 0.0 111.382 176.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.425 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . . . -72.44 -54.48 9.22 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 119.507 1.049 . . . . 0.0 113.117 178.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -52.7 -45.74 60.08 Favored Glycine 0 CA--C 1.527 0.781 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 172.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.9 p -63.49 -41.87 98.56 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 116.954 -1.498 . . . . 0.0 113.399 174.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.533 ' CE2' HD21 ' A' ' 104' ' ' LEU . 0.5 OUTLIER -62.53 -46.39 88.59 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 121.967 2.167 . . . . 0.0 113.72 176.829 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.488 ' HB1' ' CD1' ' A' ' 30' ' ' LEU . . . -57.32 -56.33 23.22 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.445 1.098 . . . . 0.0 111.711 174.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.04 -32.66 72.27 Favored 'General case' 0 C--O 1.21 -0.977 0 CA-C-O 117.166 -1.397 . . . . 0.0 111.618 174.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.49 -37.76 68.34 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 121.246 1.839 . . . . 0.0 111.74 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.415 HD22 HG22 ' A' ' 56' ' ' ILE . 1.8 tm? -66.66 -52.72 41.75 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 124.363 1.065 . . . . 0.0 109.39 171.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.9 t -59.05 -34.32 71.79 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-O 118.55 -0.738 . . . . 0.0 112.527 175.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.17 96.74 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 120.931 1.696 . . . . 0.0 111.253 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 36.1 t -62.04 -53.35 56.83 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 118.901 -0.571 . . . . 0.0 110.615 169.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.71 -43.2 72.35 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -59.51 -40.34 86.8 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 128.859 2.864 . . . . 0.0 112.13 175.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.2 m -79.36 -32.27 43.17 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.821 0.848 . . . . 0.0 112.248 173.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -68.83 -27.28 65.7 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.108 1.363 . . . . 0.0 111.277 173.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 45.5 m -60.73 -5.62 1.37 Allowed 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.639 -1.288 . . . . 0.0 113.792 164.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -109.54 -12.9 14.63 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.78 1.632 . . . . 0.0 113.677 171.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -108.41 -22.09 12.46 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.349 1.459 . . . . 0.0 113.657 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -114.85 -23.99 8.88 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.184 2.194 . . . . 0.0 113.066 174.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 11.8 t -126.03 38.03 4.22 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.158 1.383 . . . . 0.0 110.796 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -13.93 0.19 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.366 1.467 . . . . 0.0 114.246 172.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -50.26 -23.09 2.05 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.879 1.271 . . . . 0.0 113.515 163.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -75.27 -24.11 57.54 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.875 1.67 . . . . 0.0 114.079 171.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -78.85 -47.36 16.74 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 120.921 -1.112 . . . . 0.0 111.136 175.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -10.49 58.39 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 173.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -66.77 54.4 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 127.344 2.257 . . . . 0.0 113.865 173.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 42.4 t -164.49 -38.43 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 127.839 2.455 . . . . 0.0 110.721 175.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -102.92 -19.89 14.46 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.908 1.283 . . . . 0.0 113.96 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.472 0.659 0 C-N-CA 125.189 1.396 . . . . 0.0 112.343 177.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.9 p90 . . . . . 0 C--O 1.222 -0.381 0 N-CA-C 113.708 1.003 . . . . 0.0 113.708 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.1 p -71.92 -35.07 69.55 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 119.506 1.048 . . . . 0.0 112.37 -174.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 81.7 p -68.71 -41.02 79.68 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.51 0.595 . . . . 0.0 111.186 171.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.22 -39.69 82.29 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.26 1.024 . . . . 0.0 112.884 176.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.449 ' CD2' ' HB2' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -58.56 -60.9 3.08 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.261 1.424 . . . . 0.0 109.342 168.386 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.55 -14.32 60.83 Favored 'General case' 0 CA--C 1.552 1.022 0 O-C-N 119.897 -1.752 . . . . 0.0 113.646 -175.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -82.17 -46.18 14.12 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.15 1.38 . . . . 0.0 113.081 167.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.61 -25.45 67.39 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 120.952 -1.093 . . . . 0.0 113.007 173.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.423 ' HB1' ' HB2' ' A' ' 123' ' ' ALA . . . -51.37 -48.88 62.37 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.427 1.091 . . . . 0.0 111.069 164.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.0 t -55.07 -27.69 46.81 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 174.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 t -58.8 -39.08 80.07 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.748 1.158 . . . . 0.0 112.676 175.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.39 -33.72 15.15 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.666 0.786 . . . . 0.0 112.856 175.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.424 HD13 ' HB1' ' A' ' 123' ' ' ALA . 0.4 OUTLIER -62.08 -36.43 81.66 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.385 0.674 . . . . 0.0 112.782 176.052 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.29 -22.37 66.83 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.317 1.447 . . . . 0.0 113.551 171.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -85.6 -6.62 59.14 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.393 1.877 . . . . 0.0 112.354 172.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.79 61.74 1.67 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.279 1.831 . . . . 0.0 111.721 -172.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 t -55.14 -26.65 39.91 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 121.044 -1.035 . . . . 0.0 113.741 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.23 -14.81 7.94 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 170.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.08 -39.95 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 O-C-N 120.382 -1.449 . . . . 0.0 111.842 168.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.1 m -66.14 -29.21 69.47 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 121.685 -0.634 . . . . 0.0 110.608 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.415 ' HA ' ' HB3' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -68.17 -28.6 67.43 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.17 0.988 . . . . 0.0 113.49 171.719 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.07 -49.46 76.84 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.923 0.783 . . . . 0.0 110.262 170.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.34 -37.31 80.38 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.605 0.762 . . . . 0.0 112.555 175.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.415 ' HB3' ' HA ' ' A' ' 38' ' ' ARG . . . -62.26 -22.91 66.37 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.096 -1.002 . . . . 0.0 113.314 175.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 t -73.54 -6.22 45.17 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.237 1.415 . . . . 0.0 113.742 171.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.2 p -147.56 98.51 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.201 1.401 . . . . 0.0 113.277 -174.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.5 p -83.08 31.0 0.44 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.311 1.444 . . . . 0.0 114.823 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 m -140.65 129.6 23.27 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.555 1.542 . . . . 0.0 111.681 -173.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.13 -46.62 89.02 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.284 1.034 . . . . 0.0 113.439 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.53 -34.2 72.01 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.322 0.649 . . . . 0.0 112.078 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.02 -31.87 61.46 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.01 -1.056 . . . . 0.0 112.721 173.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.08 -28.17 69.9 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 120.998 -1.064 . . . . 0.0 112.291 170.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.02 -41.19 97.83 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.445 -0.784 . . . . 0.0 112.493 167.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.7 t -66.01 -35.83 81.63 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.52 0.728 . . . . 0.0 112.492 172.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.1 tp -61.39 -50.73 71.68 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.443 1.02 . . . . 0.0 111.358 171.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.611 ' HB1' HD23 ' A' ' 76' ' ' LEU . . . -61.84 -30.81 71.09 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 176.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -61.43 -52.88 62.73 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.847 0.749 . . . . 0.0 110.53 164.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -58.0 -49.01 78.29 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.333 1.453 . . . . 0.0 112.634 -175.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.0 mm -86.07 -35.86 9.78 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 CA-C-O 118.588 -0.72 . . . . 0.0 111.184 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.71 -35.76 92.35 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-N 120.295 1.407 . . . . 0.0 113.423 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.66 -53.2 60.79 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 117.977 0.889 . . . . 0.0 109.956 169.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.9 t -67.51 -28.49 67.87 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.09 -62.6 1.52 Allowed 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 125.131 1.372 . . . . 0.0 109.678 174.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.08 -45.03 42.55 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.658 0.783 . . . . 0.0 111.222 172.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -61.85 -41.47 97.86 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 120.488 -1.382 . . . . 0.0 114.293 174.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.7 m -62.09 -31.62 72.09 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.767 1.627 . . . . 0.0 112.738 175.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.47 HD13 ' CE1' ' A' ' 122' ' ' PHE . 1.3 mt -88.69 -15.07 35.79 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.994 1.317 . . . . 0.0 113.763 173.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.12 20.13 40.09 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 125.864 1.697 . . . . 0.0 114.586 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.6 mm -88.97 112.25 23.87 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 C-N-CA 127.101 2.16 . . . . 0.0 109.751 -174.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.29 -9.4 23.86 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.0 m -67.15 -6.88 19.63 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-O 117.519 -1.229 . . . . 0.0 113.091 167.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.4 p30 -39.86 -54.07 2.2 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 120.994 1.725 . . . . 0.0 115.06 177.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.8 t -63.7 -43.27 97.09 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.157 1.383 . . . . 0.0 113.504 178.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.23 -43.59 60.96 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.2 1.0 . . . . 0.0 111.623 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.3 tp -62.02 -44.28 97.04 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 126.73 2.012 . . . . 0.0 111.188 173.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.95 -35.37 66.6 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 120.713 1.597 . . . . 0.0 111.937 175.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -86.08 5.93 82.76 Favored Glycine 0 CA--C 1.541 1.666 0 C-N-CA 125.252 1.406 . . . . 0.0 115.99 172.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -127.6 -30.09 2.59 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.779 1.789 . . . . 0.0 113.291 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.611 HD23 ' HB1' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -68.89 -39.11 79.93 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 126.574 1.95 . . . . 0.0 110.399 171.69 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.6 -33.03 44.46 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.228 1.411 . . . . 0.0 112.774 167.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -29.54 60.93 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.981 -1.075 . . . . 0.0 112.958 174.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.18 -56.15 4.91 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.44 1.018 . . . . 0.0 111.205 174.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.569 HG11 ' CB ' ' A' ' 53' ' ' ALA . 7.9 p -65.66 -31.47 53.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 O-C-N 121.701 -0.624 . . . . 0.0 112.431 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -89.68 -20.03 45.75 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 124.978 1.275 . . . . 0.0 112.725 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.47 -24.05 77.32 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.663 1.125 . . . . 0.0 113.018 167.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 t -137.28 43.96 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.746 1.618 . . . . 0.0 110.948 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -91.4 150.66 20.54 Favored Glycine 0 CA--C 1.537 1.417 0 O-C-N 121.304 -0.873 . . . . 0.0 111.777 175.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 41.12 80.2 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.762 2.025 . . . . 0.0 115.591 -177.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 176.17 -36.3 0.1 OUTLIER Glycine 0 N--CA 1.474 1.204 0 O-C-N 121.728 -0.608 . . . . 0.0 114.313 173.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -90.99 -87.85 0.19 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.25 1.02 . . . . 0.0 110.529 173.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.1 p 170.93 -176.27 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 126.985 2.114 . . . . 0.0 111.202 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.75 -25.23 1.17 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 117.668 -1.158 . . . . 0.0 113.689 161.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.21 -48.77 74.6 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 121.053 1.752 . . . . 0.0 111.525 172.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.63 -36.92 76.57 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 117.693 -1.146 . . . . 0.0 112.389 173.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -66.48 -51.96 51.25 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 120.544 1.52 . . . . 0.0 109.632 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.65 -41.65 95.4 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.594 1.157 . . . . 0.0 113.626 174.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -68.81 -41.91 78.02 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 119.966 1.257 . . . . 0.0 110.867 176.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.17 96.39 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 120.139 1.336 . . . . 0.0 111.903 174.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.5 mt -65.77 -52.99 43.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 126.239 1.816 . . . . 0.0 110.559 175.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.91 -61.7 2.31 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.778 0.831 . . . . 0.0 110.476 176.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -49.02 -40.35 30.66 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 120.216 1.371 . . . . 0.0 112.686 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.42 -39.0 68.21 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 119.219 0.918 . . . . 0.0 112.809 177.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.47 ' HB1' ' CD2' ' A' ' 122' ' ' PHE . . . -53.25 -42.04 66.08 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 117.957 0.344 . . . . 0.0 110.973 168.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.44 ' HA3' ' CE1' ' A' ' 22' ' ' PHE . . . -80.31 -25.3 57.48 Favored Glycine 0 N--CA 1.468 0.799 0 CA-C-O 118.207 -1.33 . . . . 0.0 115.549 175.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -55.14 -44.22 74.88 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 119.686 1.743 . . . . 0.0 110.284 171.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.11 -40.49 74.87 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 176.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.407 HD11 ' CE1' ' A' ' 122' ' ' PHE . 74.8 mt -61.33 -42.53 98.83 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.742 0.701 . . . . 0.0 111.649 177.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.716 0 C-N-CA 125.798 1.639 . . . . 0.0 113.201 173.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.8 t . . . . . 0 N--CA 1.476 0.841 0 CA-C-O 121.164 0.507 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.38 127.0 34.76 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.191 0.996 . . . . 0.0 110.114 175.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -136.48 36.98 2.7 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.388 1.475 . . . . 0.0 111.666 -173.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 48.99 34.64 5.73 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 125.313 1.445 . . . . 0.0 114.89 176.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -157.85 -46.33 0.01 OUTLIER Glycine 0 N--CA 1.474 1.213 0 C-N-CA 124.509 1.052 . . . . 0.0 113.663 -172.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.06 9.55 27.65 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.209 1.004 . . . . 0.0 112.578 163.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.37 -48.6 71.32 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.416 1.086 . . . . 0.0 111.423 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.3 p -71.77 -36.79 70.48 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 176.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.71 -51.43 62.46 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.861 0.864 . . . . 0.0 111.587 178.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -32.44 73.75 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-O 117.571 -1.204 . . . . 0.0 112.136 172.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.449 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . . . -64.72 -53.73 42.57 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 120.629 1.559 . . . . 0.0 113.182 177.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.95 -44.99 72.23 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 109.814 -1.315 . . . . 0.0 109.814 173.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.2 t -60.41 -44.61 95.56 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 174.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.47 ' CE1' HD13 ' A' ' 64' ' ' LEU . 1.2 m-85 -68.12 -42.57 80.02 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 121.017 1.735 . . . . 0.0 114.105 178.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.424 ' HB1' HD13 ' A' ' 30' ' ' LEU . . . -58.67 -55.31 36.68 Favored 'General case' 0 N--CA 1.439 -0.996 0 C-N-CA 125.069 1.348 . . . . 0.0 110.624 172.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -34.3 74.93 Favored 'General case' 0 C--O 1.211 -0.963 0 CA-C-O 117.967 -1.016 . . . . 0.0 112.392 173.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.11 -46.45 42.65 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 121.515 1.961 . . . . 0.0 111.717 -177.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.1 tt -65.06 -45.11 86.67 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.657 0.783 . . . . 0.0 109.897 173.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 35.1 p -68.14 -40.95 82.31 Favored 'General case' 0 C--O 1.222 -0.35 0 O-C-N 120.62 -1.3 . . . . 0.0 113.955 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.431 ' HA ' ' HB2' ' A' ' 131' ' ' GLU . . . -65.39 -39.85 92.75 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.582 1.553 . . . . 0.0 111.971 174.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 33.5 t -57.7 -54.07 51.0 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.574 0.75 . . . . 0.0 110.302 172.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.04 -26.54 68.6 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 172.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.431 ' HB2' ' HA ' ' A' ' 128' ' ' ALA . 0.9 OUTLIER -65.19 -48.72 72.45 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 121.358 1.89 . . . . 0.0 110.809 176.023 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 31.4 m -71.71 -41.74 68.2 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.971 0.908 . . . . 0.0 111.468 177.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -37.54 80.1 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 117.582 -1.199 . . . . 0.0 112.577 175.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.8 m -56.29 -35.12 67.13 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 121.374 1.897 . . . . 0.0 111.197 172.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -67.26 -25.33 66.01 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 173.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -97.55 -25.25 15.22 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.982 1.313 . . . . 0.0 113.45 177.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 29.3 tp60 -89.66 -33.34 16.67 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 127.378 2.271 . . . . 0.0 112.373 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.7 p -113.66 27.63 9.4 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.405 1.482 . . . . 0.0 112.091 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -6.44 0.18 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.096 1.359 . . . . 0.0 114.226 168.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -49.12 -26.45 2.76 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 120.346 -1.471 . . . . 0.0 113.322 167.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -64.88 -27.87 69.16 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.194 1.398 . . . . 0.0 114.53 170.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -69.86 -40.96 75.44 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.315 1.046 . . . . 0.0 112.168 177.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -86.63 -6.92 58.73 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.787 0.835 . . . . 0.0 113.205 175.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -76.52 -159.95 0.14 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 125.404 1.482 . . . . 0.0 112.183 169.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.4 t 68.05 -41.15 0.44 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 128.193 2.597 . . . . 0.0 114.66 -174.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -96.51 -34.34 11.51 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.378 1.471 . . . . 0.0 112.412 170.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.474 0.757 0 C-N-CA 124.329 1.052 . . . . 0.0 112.482 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.3 p90 . . . . . 0 CA--C 1.54 0.59 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.0 m -57.72 -27.48 62.99 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.265 1.426 . . . . 0.0 114.656 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.9 p -100.84 -32.2 10.79 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.695 0.798 . . . . 0.0 112.535 171.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.25 -43.6 97.55 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.724 1.147 . . . . 0.0 112.739 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.507 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 0.1 OUTLIER -62.69 -48.71 78.12 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 172.015 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.95 -24.68 67.59 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 121.208 -0.932 . . . . 0.0 113.026 -177.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -71.96 -44.19 63.95 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.339 1.456 . . . . 0.0 111.979 170.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.26 -30.6 68.76 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.243 -0.911 . . . . 0.0 112.813 173.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.419 ' HB1' ' HB2' ' A' ' 123' ' ' ALA . . . -56.51 -49.58 74.3 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.221 1.008 . . . . 0.0 111.082 166.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.1 m -56.15 -32.21 64.07 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 174.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -60.19 -35.06 74.53 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 120.161 1.346 . . . . 0.0 112.905 173.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.87 -35.91 16.27 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.224 1.01 . . . . 0.0 112.91 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.47 ' CD2' ' HB1' ' A' ' 93' ' ' ALA . 0.5 OUTLIER -62.41 -46.58 87.94 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.153 0.981 . . . . 0.0 111.756 173.712 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.93 -24.52 66.09 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.129 0.972 . . . . 0.0 113.193 175.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.26 -19.24 64.71 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.359 1.464 . . . . 0.0 113.0 170.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.27 70.66 1.47 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.315 1.446 . . . . 0.0 110.553 -176.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.0 p -50.05 -23.05 1.85 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.95 1.3 . . . . 0.0 114.281 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.99 -19.18 6.23 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 125.694 1.597 . . . . 0.0 114.9 169.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -39.91 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 O-C-N 120.659 -1.276 . . . . 0.0 112.413 167.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.4 t -68.88 -35.04 76.41 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.551 0.74 . . . . 0.0 110.432 176.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -34.66 70.87 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.267 -0.896 . . . . 0.0 113.273 171.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.43 -48.07 74.05 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.876 0.47 . . . . 0.0 111.933 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -34.65 78.94 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 118.49 0.586 . . . . 0.0 111.85 170.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.06 -23.31 65.36 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.807 -1.183 . . . . 0.0 113.76 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.86 -1.96 41.41 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.264 1.426 . . . . 0.0 114.025 171.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 65.7 t -136.81 94.51 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 126.822 2.049 . . . . 0.0 110.67 -168.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 t -102.29 38.13 1.74 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.019 1.328 . . . . 0.0 112.742 -173.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.42 140.28 26.19 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.598 1.559 . . . . 0.0 111.624 -176.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.34 -52.55 64.77 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.532 1.133 . . . . 0.0 113.339 -177.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.1 m -72.09 -26.44 62.15 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.206 1.002 . . . . 0.0 113.063 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.61 -34.58 60.59 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.017 -1.052 . . . . 0.0 111.917 172.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.94 -38.53 88.86 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.381 0.992 . . . . 0.0 111.306 172.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.6 p -66.86 -36.1 81.54 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.722 -0.611 . . . . 0.0 112.444 170.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.1 t -64.64 -40.01 94.71 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.228 1.011 . . . . 0.0 113.021 170.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.5 tt -56.95 -51.55 68.74 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.244 0.929 . . . . 0.0 109.375 169.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.11 -30.96 66.7 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 175.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.41 -54.69 21.38 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 120.887 -1.133 . . . . 0.0 111.862 171.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -71.18 -46.01 62.25 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.392 1.477 . . . . 0.0 112.4 -172.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.3 mm -71.41 -39.79 71.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 124.948 1.299 . . . . 0.0 110.644 174.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.38 -37.35 81.14 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-N 119.724 1.147 . . . . 0.0 112.455 175.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.37 -51.39 68.5 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.694 0.797 . . . . 0.0 111.95 170.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.9 t -69.23 -36.36 77.11 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.537 1.135 . . . . 0.0 113.156 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.31 -49.5 66.82 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.921 1.288 . . . . 0.0 111.402 178.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.79 91.37 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.148 0.579 . . . . 0.0 111.651 173.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -56.76 -44.37 81.72 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.813 0.845 . . . . 0.0 112.402 172.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.9 t -60.33 -35.1 74.86 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.329 1.452 . . . . 0.0 112.604 178.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.417 HD21 ' HA ' ' A' ' 122' ' ' PHE . 4.5 mm? -85.7 -10.52 55.52 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.835 1.254 . . . . 0.0 113.439 173.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.02 8.22 87.67 Favored Glycine 0 CA--C 1.543 1.808 0 C-N-CA 125.609 1.576 . . . . 0.0 114.6 -174.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.8 mm -70.24 109.27 2.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 126.716 2.006 . . . . 0.0 109.649 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.14 -10.78 53.72 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 m -68.31 8.37 0.46 Allowed 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 125.657 1.583 . . . . 0.0 113.485 170.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -39.47 -58.38 1.27 Allowed 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 121.063 1.756 . . . . 0.0 114.372 176.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.5 t -65.59 -40.85 93.15 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.9 -43.81 67.57 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.94 0.896 . . . . 0.0 112.548 -177.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.9 tp -64.86 -48.14 75.36 Favored 'General case' 0 C--O 1.216 -0.689 0 C-N-CA 125.809 1.643 . . . . 0.0 110.407 171.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.38 -41.68 72.97 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 120.557 1.526 . . . . 0.0 111.792 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -69.69 -1.21 29.54 Favored Glycine 0 CA--C 1.542 1.724 0 C-N-CA 126.406 1.955 . . . . 0.0 116.308 171.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -121.6 -27.55 4.72 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.282 1.833 . . . . 0.0 112.417 175.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.529 HD11 ' HA ' ' A' ' 96' ' ' ILE . 14.5 tp -74.28 -41.01 61.92 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 127.049 2.14 . . . . 0.0 110.4 176.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.66 -21.21 66.68 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 169.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -81.02 -39.15 26.3 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 120.863 -1.148 . . . . 0.0 111.602 172.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.36 -57.88 9.69 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 118.802 0.728 . . . . 0.0 111.344 169.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 56.4 t -67.69 -39.82 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 125.97 1.708 . . . . 0.0 112.467 -177.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.29 -27.29 73.48 Favored Glycine 0 CA--C 1.535 1.309 0 O-C-N 121.243 -0.911 . . . . 0.0 113.255 175.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -78.04 -3.72 85.15 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.968 1.27 . . . . 0.0 114.395 169.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.2 p -143.08 49.89 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.932 1.693 . . . . 0.0 110.364 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.82 124.68 8.24 Favored Glycine 0 CA--C 1.534 1.251 0 O-C-N 120.546 -1.346 . . . . 0.0 111.932 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 52.47 97.76 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 127.524 2.33 . . . . 0.0 115.134 -174.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 153.08 -27.64 0.8 Allowed Glycine 0 N--CA 1.471 0.978 0 C-N-CA 124.176 0.894 . . . . 0.0 113.897 172.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.99 -80.38 0.29 Allowed 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 118.356 -0.83 . . . . 0.0 111.441 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.7 t 153.66 162.46 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 129.342 3.057 . . . . 0.0 110.745 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.45 -27.87 1.91 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 117.409 -1.282 . . . . 0.0 113.57 163.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 38.3 m -59.19 -55.84 29.77 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 120.889 1.677 . . . . 0.0 111.834 169.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.62 -36.32 83.37 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.398 -0.814 . . . . 0.0 112.397 176.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -66.16 -53.0 42.89 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 119.328 0.967 . . . . 0.0 109.918 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.47 ' HB1' ' CD2' ' A' ' 30' ' ' LEU . . . -56.17 -48.36 76.49 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 125.262 1.425 . . . . 0.0 113.058 174.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.48 -49.92 73.46 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 118.056 -0.974 . . . . 0.0 110.231 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.99 -36.12 82.94 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 120.087 1.312 . . . . 0.0 112.89 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.529 ' HA ' HD11 ' A' ' 76' ' ' LEU . 36.7 mt -63.29 -54.07 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.078 1.351 . . . . 0.0 109.939 175.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.73 -52.41 65.23 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.024 0.529 . . . . 0.0 110.946 175.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 18.3 mtt-85 -48.0 -54.59 12.42 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.519 1.528 . . . . 0.0 111.338 175.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.42 -35.81 82.06 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.468 1.031 . . . . 0.0 113.373 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.98 -54.64 36.25 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.089 0.956 . . . . 0.0 111.209 173.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.507 ' HA3' ' CZ ' ' A' ' 22' ' ' PHE . . . -85.49 -18.66 59.92 Favored Glycine 0 CA--C 1.536 1.387 0 CA-C-O 118.307 -1.274 . . . . 0.0 115.322 -179.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -53.93 -44.63 70.78 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.401 2.101 . . . . 0.0 110.171 163.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -65.01 -42.3 94.58 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 122.105 -0.372 . . . . 0.0 111.859 175.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 66.9 mt -62.75 -39.04 92.92 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.593 -0.692 . . . . 0.0 112.716 178.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.542 0.636 0 C-N-CA 124.893 1.277 . . . . 0.0 112.805 172.67 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.4 t . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.657 0.265 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.89 117.95 30.99 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.35 1.06 . . . . 0.0 109.833 -177.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -129.4 28.53 5.2 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.807 1.643 . . . . 0.0 112.263 -169.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 56.74 26.74 11.76 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -147.58 -42.45 0.04 OUTLIER Glycine 0 N--CA 1.476 1.306 0 C-N-CA 124.784 1.183 . . . . 0.0 113.358 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.82 8.88 37.6 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.536 1.134 . . . . 0.0 112.706 165.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.92 -56.8 17.26 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.081 0.855 . . . . 0.0 111.245 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.4 m -62.38 -35.53 79.47 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 177.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.74 -54.21 30.32 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.822 0.849 . . . . 0.0 111.564 178.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.23 -31.78 70.58 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.515 178.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.05 -47.97 69.72 Favored 'General case' 0 C--O 1.224 -0.243 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 175.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.37 -46.0 64.77 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 171.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 39.8 m -64.6 -42.46 95.55 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 172.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . 0.417 ' HA ' HD21 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -67.05 -43.25 83.17 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 121.635 2.016 . . . . 0.0 111.141 -179.612 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.419 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . . . -60.89 -58.49 8.21 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.32 1.448 . . . . 0.0 111.181 173.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.08 -34.02 67.88 Favored 'General case' 0 C--O 1.21 -1.025 0 CA-C-O 116.952 -1.499 . . . . 0.0 111.693 174.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.95 -39.82 63.49 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 121.302 1.864 . . . . 0.0 112.639 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.0 tt -68.1 -41.52 81.68 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.742 1.155 . . . . 0.0 110.006 174.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 68.2 m -60.5 -52.05 66.83 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.264 1.026 . . . . 0.0 113.32 169.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.62 -40.98 89.05 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 126.005 1.722 . . . . 0.0 110.883 -177.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 56.7 m -64.33 -42.32 96.35 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.986 170.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.73 -45.1 87.93 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 120.982 1.719 . . . . 0.0 113.719 177.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.05 -29.54 60.77 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.193 -0.942 . . . . 0.0 112.773 176.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 67.8 m -79.06 -17.03 55.95 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.085 -1.009 . . . . 0.0 113.256 168.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -65.6 -23.02 66.73 Favored 'General case' 0 C--O 1.22 -0.496 0 O-C-N 120.258 -1.526 . . . . 0.0 110.908 169.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.6 t -54.03 -38.09 64.79 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 120.81 1.641 . . . . 0.0 112.478 163.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -67.57 -28.7 68.0 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.061 -1.65 . . . . 0.0 113.985 172.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -96.02 -18.98 19.82 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -106.83 -34.4 7.26 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 127.751 2.42 . . . . 0.0 111.649 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.52 30.9 5.02 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 126.096 1.758 . . . . 0.0 110.567 174.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -57.58 -7.44 0.65 Allowed 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.069 -1.019 . . . . 0.0 113.219 174.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -44.59 -26.95 0.42 Allowed 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 170.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -97.43 -43.58 7.22 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.608 1.095 . . . . 0.0 113.284 170.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -25.79 66.28 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.232 1.013 . . . . 0.0 112.644 -178.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -67.9 -33.48 74.79 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.277 1.431 . . . . 0.0 112.87 176.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -75.58 33.66 0.11 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.43 1.492 . . . . 0.0 113.09 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.3 t -158.34 -44.99 0.06 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.932 2.093 . . . . 0.0 110.939 175.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -96.4 -31.16 12.98 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 3.2 t80 . . . . . 0 N--CA 1.474 0.752 0 C-N-CA 125.003 1.321 . . . . 0.0 111.537 -177.896 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.4 p90 . . . . . 0 CA--C 1.536 0.435 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.8 p -58.49 -38.77 78.35 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.495 1.043 . . . . 0.0 112.675 -175.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.3 m -87.18 -36.38 18.05 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.948 0.899 . . . . 0.0 113.311 171.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.17 -34.7 79.0 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.532 1.06 . . . . 0.0 112.925 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -54.56 -57.73 10.27 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.602 1.161 . . . . 0.0 110.161 163.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.36 -18.24 63.46 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -177.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -79.48 -42.61 24.9 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.467 1.507 . . . . 0.0 112.996 169.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.59 -19.61 60.25 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.429 1.092 . . . . 0.0 113.848 174.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.49 -46.2 76.96 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 120.275 -1.516 . . . . 0.0 111.29 164.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.27 -28.42 53.28 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.117 1.367 . . . . 0.0 114.554 173.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.9 m -59.56 -31.28 69.29 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.57 1.077 . . . . 0.0 113.625 175.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.64 -29.3 10.2 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.155 0.982 . . . . 0.0 113.069 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.644 HD23 ' HB1' ' A' ' 123' ' ' ALA . 0.2 OUTLIER -61.33 -43.7 98.43 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.014 1.326 . . . . 0.0 113.319 170.295 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.42 -25.12 66.61 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 172.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.91 -16.74 62.69 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.777 1.631 . . . . 0.0 113.596 170.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.8 m -126.21 69.99 1.23 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.005 1.722 . . . . 0.0 112.08 -172.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.6 t -52.89 -25.12 10.71 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 -178.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.92 -16.13 16.2 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 170.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.603 HG21 HD13 ' A' ' 30' ' ' LEU . 0.8 OUTLIER -61.46 -34.44 61.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 120.546 1.521 . . . . 0.0 112.26 166.072 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.1 m -67.65 -33.33 74.74 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 120.743 -1.223 . . . . 0.0 111.232 173.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -66.36 -24.67 66.54 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 120.652 -1.28 . . . . 0.0 113.207 171.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.418 ' HB2' ' HB1' ' A' ' 130' ' ' ALA . . . -58.78 -51.62 69.2 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.718 0.807 . . . . 0.0 112.252 172.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.579 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 3.8 p90 -71.84 -35.28 69.83 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.778 0.717 . . . . 0.0 112.799 173.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.91 -25.93 68.55 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 119.502 1.046 . . . . 0.0 112.829 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.3 t -62.04 -22.17 65.52 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.719 1.608 . . . . 0.0 114.199 169.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.3 p -143.15 91.42 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.302 1.441 . . . . 0.0 112.523 -168.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 t -80.33 38.58 0.43 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.976 1.71 . . . . 0.0 114.397 -176.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m -145.67 128.93 16.75 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.787 1.635 . . . . 0.0 111.727 -175.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.45 -47.03 87.04 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.471 1.108 . . . . 0.0 113.797 -177.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.7 m -66.09 -37.19 85.16 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.789 0.836 . . . . 0.0 112.51 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.07 -25.58 47.73 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 176.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.67 -33.26 75.47 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 120.906 -1.121 . . . . 0.0 111.997 165.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -43.87 87.51 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.143 -0.973 . . . . 0.0 111.769 165.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.4 m -63.05 -38.43 91.16 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 172.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.1 tp -57.97 -52.73 64.29 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.468 1.031 . . . . 0.0 110.945 171.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.61 -38.4 84.57 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 119.298 0.954 . . . . 0.0 112.958 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -57.79 -48.56 79.35 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 119.26 0.937 . . . . 0.0 111.598 169.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.73 -54.61 32.68 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.376 1.07 . . . . 0.0 112.864 -178.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.6 mm -78.09 -32.59 17.36 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 124.022 0.929 . . . . 0.0 111.158 -176.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.38 -37.38 94.73 Favored Glycine 0 N--CA 1.469 0.882 0 C-N-CA 124.133 0.873 . . . . 0.0 113.884 175.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 tp -55.14 -47.39 75.15 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.372 0.669 . . . . 0.0 111.149 170.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.2 t -73.67 -34.57 64.97 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.766 1.226 . . . . 0.0 113.972 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.27 -53.19 52.96 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.095 0.862 . . . . 0.0 112.2 176.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.89 -49.12 74.29 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 124.544 1.138 . . . . 0.0 110.381 171.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -59.03 -41.68 88.36 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.957 1.253 . . . . 0.0 114.026 175.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.1 t -62.03 -36.76 82.56 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.167 1.387 . . . . 0.0 112.533 176.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.45 -9.25 59.76 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.675 1.19 . . . . 0.0 113.893 171.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.89 10.27 72.61 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.796 1.665 . . . . 0.0 114.826 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.5 mm -84.78 107.5 15.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 125.572 1.549 . . . . 0.0 110.291 -173.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.0 -8.86 17.7 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.6 p -68.26 -0.41 4.71 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.676 1.362 . . . . 0.0 114.676 169.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -31.62 -56.22 0.27 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.791 2.036 . . . . 0.0 114.49 177.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.3 t -60.44 -43.72 96.54 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.745 2.018 . . . . 0.0 114.41 175.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.57 -44.96 63.56 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.167 1.387 . . . . 0.0 111.791 178.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.3 tp -64.7 -43.22 94.18 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 124.291 1.036 . . . . 0.0 111.129 175.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.06 -28.45 62.58 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 120.288 1.404 . . . . 0.0 113.094 174.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -83.55 3.34 85.37 Favored Glycine 0 CA--C 1.542 1.742 0 C-N-CA 125.921 1.724 . . . . 0.0 116.084 171.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.51 -28.78 3.0 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.124 1.769 . . . . 0.0 112.995 177.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.675 HD12 ' HB3' ' A' ' 99' ' ' ALA . 12.0 tp -69.54 -41.52 75.84 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 126.734 2.013 . . . . 0.0 111.207 173.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.57 -37.16 70.18 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.475 1.11 . . . . 0.0 113.184 168.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -70.61 -24.34 62.72 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 174.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.94 -54.73 4.85 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.264 -0.897 . . . . 0.0 111.933 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.74 -33.98 67.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 121.233 -0.917 . . . . 0.0 112.066 174.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -82.24 -22.11 59.5 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.001 0.81 . . . . 0.0 114.248 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.7 -25.94 72.95 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 123.856 0.741 . . . . 0.0 113.511 171.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.8 t -134.76 31.3 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 125.647 1.579 . . . . 0.0 111.32 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.91 137.93 29.12 Favored Glycine 0 CA--C 1.534 1.246 0 O-C-N 120.804 -1.185 . . . . 0.0 111.619 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 43.05 77.31 0.06 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.402 1.881 . . . . 0.0 115.3 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -172.45 -33.45 0.03 OUTLIER Glycine 0 CA--C 1.534 1.222 0 N-CA-C 115.4 0.92 . . . . 0.0 115.4 173.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -98.31 -70.38 0.73 Allowed 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.696 1.248 . . . . 0.0 111.756 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.0 t 157.19 179.48 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 129.586 3.154 . . . . 0.0 110.667 -177.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.579 ' HB2' ' HE2' ' A' ' 40' ' ' PHE . . . -40.45 -36.49 0.57 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 127.483 2.313 . . . . 0.0 113.964 161.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.3 t -53.46 -55.24 26.92 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 124.32 1.048 . . . . 0.0 111.469 173.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.7 -43.08 94.62 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 119.371 0.987 . . . . 0.0 112.548 176.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -62.75 -50.03 72.67 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 119.558 1.072 . . . . 0.0 110.238 -178.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.3 86.7 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.729 1.212 . . . . 0.0 113.528 174.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -64.4 -42.31 96.16 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 118.782 0.719 . . . . 0.0 111.363 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.61 -41.88 75.11 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.431 1.092 . . . . 0.0 112.225 177.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 42.4 mt -58.8 -51.08 76.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 124.088 0.955 . . . . 0.0 110.612 171.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.16 -35.36 80.86 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.964 0.905 . . . . 0.0 113.011 177.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -62.69 -52.85 61.67 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-O 117.373 -1.299 . . . . 0.0 111.643 171.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.675 ' HB3' HD12 ' A' ' 76' ' ' LEU . . . -68.94 -37.44 78.87 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 121.002 1.728 . . . . 0.0 113.274 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -51.78 -57.92 7.92 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.525 0.73 . . . . 0.0 110.215 164.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.08 -43.45 83.34 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 125.047 1.308 . . . . 0.0 113.073 176.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -56.98 -41.87 79.19 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.748 1.774 . . . . 0.0 112.136 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -67.63 -48.89 65.45 Favored 'General case' 0 C--N 1.34 0.193 0 CA-C-N 118.674 0.67 . . . . 0.0 111.623 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 38.9 mt -66.18 -37.14 84.91 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 120.915 -1.116 . . . . 0.0 112.17 -176.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 0.728 0 C-N-CA 128.512 2.725 . . . . 0.0 115.104 172.751 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.2 t . . . . . 0 N--CA 1.477 0.897 0 CA-C-O 120.857 0.361 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.76 136.48 32.94 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.826 1.651 . . . . 0.0 111.392 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -139.7 36.59 2.0 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 124.328 1.051 . . . . 0.0 113.318 -170.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 52.91 32.19 12.14 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 116.305 1.965 . . . . 0.0 116.305 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -161.21 -37.06 0.02 OUTLIER Glycine 0 N--CA 1.482 1.731 0 CA-C-N 116.538 -0.301 . . . . 0.0 113.771 175.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -86.71 14.46 7.02 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 121.238 -1.154 . . . . 0.0 113.687 167.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.24 -53.35 59.12 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.657 1.183 . . . . 0.0 112.442 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 44.5 p -69.19 -36.78 77.66 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.7 -54.07 49.68 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.006 0.922 . . . . 0.0 111.784 175.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.7 mp -66.83 -32.73 74.2 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 117.875 -1.06 . . . . 0.0 112.34 175.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.17 -51.11 69.15 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 119.98 1.264 . . . . 0.0 113.449 175.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.35 -48.49 59.68 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 173.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 75.7 m -64.21 -44.37 92.13 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -67.17 -47.8 69.89 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 120.143 1.338 . . . . 0.0 111.059 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.644 ' HB1' HD23 ' A' ' 30' ' ' LEU . . . -62.77 -45.82 90.92 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.715 1.206 . . . . 0.0 110.598 177.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.54 -23.81 61.83 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 175.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.24 -38.27 75.14 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 120.513 1.506 . . . . 0.0 111.066 169.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.3 -44.03 89.23 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 118.945 -0.55 . . . . 0.0 111.504 170.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.8 p -63.91 -38.06 89.69 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 118.167 -0.921 . . . . 0.0 113.165 172.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.03 -44.01 70.11 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.481 1.512 . . . . 0.0 112.252 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 41.4 t -63.42 -47.22 82.85 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 121.858 -0.526 . . . . 0.0 110.452 171.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.418 ' HB1' ' HB2' ' A' ' 39' ' ' ALA . . . -60.67 -38.3 84.46 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 175.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -57.23 -45.73 83.62 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.821 1.649 . . . . 0.0 111.987 174.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 67.1 m -71.67 -43.84 65.32 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.057 0.543 . . . . 0.0 111.568 173.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -66.03 -17.8 64.92 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 120.782 -1.199 . . . . 0.0 113.536 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 39.7 m -57.56 -21.46 38.68 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 120.575 1.534 . . . . 0.0 113.653 164.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -80.55 -34.0 35.79 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 119.688 1.131 . . . . 0.0 113.182 169.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -88.99 -38.8 14.16 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.732 1.213 . . . . 0.0 113.576 -174.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -86.63 -25.41 24.9 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.753 2.021 . . . . 0.0 112.214 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.57 33.71 5.32 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.444 1.498 . . . . 0.0 111.55 175.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -1.99 0.31 Allowed 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 170.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -50.03 -33.03 16.88 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 120.49 -1.381 . . . . 0.0 112.922 166.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -67.09 -20.9 65.88 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 173.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -72.98 -43.67 61.96 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.514 1.126 . . . . 0.0 111.663 174.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -85.4 -7.86 58.72 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.955 1.302 . . . . 0.0 113.889 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.33 -171.88 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.338 1.455 . . . . 0.0 113.057 171.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.9 t 69.17 -37.69 0.38 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 127.092 2.157 . . . . 0.0 113.832 -168.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -99.35 -40.97 7.64 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.502 1.121 . . . . 0.0 112.623 170.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 N--CA 1.476 0.843 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 176.061 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.7 m . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.29 68.42 1.63 Allowed Glycine 0 CA--C 1.538 1.489 0 C-N-CA 123.959 0.79 . . . . 0.0 114.387 174.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -139.08 95.26 2.92 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.652 1.181 . . . . 0.0 111.908 -177.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.5 t -154.9 40.79 0.44 Allowed 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.951 1.3 . . . . 0.0 112.282 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 48.3 m -61.37 101.9 0.2 Allowed 'General case' 0 N--CA 1.475 0.805 0 O-C-N 120.421 -1.424 . . . . 0.0 111.335 171.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -59.87 -40.74 89.69 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.819 0.848 . . . . 0.0 111.347 177.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 50.65 54.6 10.89 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 126.555 1.942 . . . . 0.0 113.643 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . 60.37 169.67 0.09 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 127.348 2.259 . . . . 0.0 114.034 -167.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.9 m -68.86 -37.91 79.4 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 120.211 -1.555 . . . . 0.0 113.097 -179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -102.86 133.81 47.33 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.879 1.672 . . . . 0.0 109.263 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.5 t -61.17 -42.58 98.82 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -172.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -145.94 -32.43 0.35 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.578 1.151 . . . . 0.0 113.862 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 48.66 58.77 4.92 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.48 1.912 . . . . 0.0 115.734 174.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -149.96 -50.76 0.14 Allowed 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 116.114 1.894 . . . . 0.0 116.114 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.64 35.44 4.2 Favored 'General case' 0 N--CA 1.487 1.407 0 CA-C-O 123.528 1.632 . . . . 0.0 112.496 -173.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -68.24 -17.45 64.31 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.26 1.824 . . . . 0.0 115.076 -178.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 69.3 p -72.65 -40.14 66.59 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.758 1.163 . . . . 0.0 113.075 -176.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.6 t -74.68 -40.11 61.59 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.071 0.948 . . . . 0.0 111.406 172.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.1 79.91 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 121.392 -0.818 . . . . 0.0 113.206 176.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.599 ' CD2' ' HB2' ' A' ' 119' ' ' ALA . 14.6 t80 -52.34 -59.37 4.49 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.871 1.268 . . . . 0.0 109.641 163.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.62 -18.23 58.58 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -176.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -73.15 -45.54 56.12 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 124.42 1.088 . . . . 0.0 113.126 169.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.57 -23.16 56.51 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.113 -0.992 . . . . 0.0 113.091 177.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.98 -49.62 59.86 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.02 0.528 . . . . 0.0 111.401 161.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.6 t -57.47 -30.14 64.82 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 175.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.2 t -59.37 -41.11 88.55 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.166 -0.959 . . . . 0.0 112.737 175.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.09 -35.23 23.87 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 174.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.83 -39.91 86.69 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.447 -0.783 . . . . 0.0 112.168 176.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.0 -24.74 67.59 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.345 1.458 . . . . 0.0 113.728 173.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.91 -10.84 59.75 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 125.59 1.556 . . . . 0.0 112.677 171.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 72.8 m -133.94 58.3 1.77 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 125.31 1.444 . . . . 0.0 112.637 -168.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.68 -26.06 8.44 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -177.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.95 -15.64 9.53 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 114.513 1.301 . . . . 0.0 114.513 172.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.86 -40.66 89.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 O-C-N 120.274 -1.516 . . . . 0.0 112.915 169.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.9 m -65.91 -30.26 70.82 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.182 -0.948 . . . . 0.0 110.406 175.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -36.41 82.62 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 125.129 1.372 . . . . 0.0 112.416 170.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.33 -41.02 92.67 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.422 1.01 . . . . 0.0 111.962 171.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -69.96 -34.16 73.03 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 171.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.12 -24.89 65.03 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 119.291 0.95 . . . . 0.0 113.323 172.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.5 m -75.1 -15.76 60.59 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 115.124 1.527 . . . . 0.0 115.124 174.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.6 m -133.21 108.35 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 C-N-CA 124.804 1.242 . . . . 0.0 112.207 -176.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.0 p -100.91 31.76 3.45 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.936 1.694 . . . . 0.0 113.665 -171.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.4 m -136.04 128.44 30.29 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.471 1.508 . . . . 0.0 111.523 -176.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -54.34 -52.43 61.59 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.069 1.348 . . . . 0.0 112.653 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.1 m -66.55 -35.03 79.22 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 124.026 0.93 . . . . 0.0 112.822 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.73 -31.5 68.36 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.577 -0.702 . . . . 0.0 112.337 175.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.07 -36.57 83.57 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.391 -0.818 . . . . 0.0 111.962 169.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.3 m -58.98 -42.48 90.06 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.021 0.828 . . . . 0.0 111.881 168.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.8 m -64.65 -38.35 90.69 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-O 118.671 -0.68 . . . . 0.0 112.812 171.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.9 tt -61.89 -46.35 89.78 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 119.567 1.076 . . . . 0.0 110.623 173.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.07 -47.2 78.42 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 119.727 1.149 . . . . 0.0 112.005 171.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -63.06 -47.4 83.09 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 119.663 1.119 . . . . 0.0 112.559 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.0 t30 -63.09 -57.19 11.44 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 126.612 1.965 . . . . 0.0 112.821 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 46.8 mm -71.11 -33.7 52.21 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 C-N-CA 124.353 1.061 . . . . 0.0 110.631 -177.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.51 -56.73 18.44 Favored Glycine 0 CA--C 1.528 0.849 0 C-N-CA 124.696 1.141 . . . . 0.0 111.828 168.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.5 -25.95 66.47 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 118.778 1.289 . . . . 0.0 114.06 177.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.5 t -75.45 -49.96 17.26 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.656 -0.653 . . . . 0.0 111.463 173.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.71 -35.97 75.59 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.895 1.278 . . . . 0.0 112.652 175.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -41.06 -47.81 3.19 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.262 1.825 . . . . 0.0 112.452 171.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 30.5 ttt-85 -82.63 -28.13 30.97 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.732 1.613 . . . . 0.0 112.59 -177.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 19.6 m -65.29 -35.67 81.72 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 124.584 1.154 . . . . 0.0 113.079 169.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.44 HD21 ' HA ' ' A' ' 122' ' ' PHE . 3.1 mm? -88.53 -26.72 21.86 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.122 0.969 . . . . 0.0 112.928 173.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.39 -18.27 38.86 Favored Glycine 0 CA--C 1.541 1.658 0 C-N-CA 126.336 1.922 . . . . 0.0 114.316 -179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.461 ' H ' HD12 ' A' ' 66' ' ' ILE . 4.5 mp -77.62 76.35 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 126.905 2.082 . . . . 0.0 110.375 177.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.13 -6.8 2.18 Favored 'General case' 0 CA--C 1.553 1.081 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 173.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.9 18.73 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 126.931 2.092 . . . . 0.0 114.909 174.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.92 -13.33 10.5 Favored 'General case' 0 C--O 1.221 -0.4 0 O-C-N 120.491 -1.38 . . . . 0.0 114.424 176.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.9 t -46.09 -40.59 11.1 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.847 1.203 . . . . 0.0 113.508 170.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -87.69 -38.14 16.1 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.861 0.864 . . . . 0.0 112.558 173.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.434 HD11 ' HA ' ' A' ' 100' ' ' ALA . 5.0 tp -59.68 -57.91 10.87 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-N 118.532 0.606 . . . . 0.0 111.466 178.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.25 -40.89 71.45 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 127.019 2.128 . . . . 0.0 112.059 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -64.6 -10.86 46.2 Favored Glycine 0 CA--C 1.541 1.714 0 C-N-CA 125.373 1.463 . . . . 0.0 115.233 172.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -115.07 -27.28 7.39 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.951 1.7 . . . . 0.0 112.446 173.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.0 tp -70.5 -41.89 72.03 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 127.365 2.266 . . . . 0.0 110.579 177.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.89 -37.95 74.9 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.839 1.256 . . . . 0.0 111.991 168.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -76.31 -27.32 56.52 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.385 1.074 . . . . 0.0 112.579 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.41 -56.7 4.45 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.008 0.923 . . . . 0.0 111.121 175.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.0 p -65.02 -37.58 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.561 0.744 . . . . 0.0 112.026 177.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -80.11 -28.41 49.61 Favored Glycine 0 CA--C 1.531 1.031 0 C-N-CA 124.907 1.241 . . . . 0.0 113.45 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -59.67 -22.46 56.96 Favored Glycine 0 CA--C 1.538 1.475 0 C-N-CA 124.972 1.272 . . . . 0.0 113.897 172.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 t -129.36 31.28 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.99 1.716 . . . . 0.0 110.144 172.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.31 109.77 3.08 Favored Glycine 0 CA--C 1.532 1.108 0 C-N-CA 124.541 1.067 . . . . 0.0 111.72 177.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 60.53 88.21 0.08 Allowed 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 127.484 2.314 . . . . 0.0 114.029 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 175.35 -29.66 0.08 OUTLIER Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.613 1.101 . . . . 0.0 114.221 176.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -102.12 -87.42 0.4 Allowed 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.402 1.081 . . . . 0.0 111.197 176.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.2 t 174.01 173.29 0.18 Allowed 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 127.163 2.185 . . . . 0.0 110.475 -176.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.07 -24.7 0.69 Allowed 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.449 1.099 . . . . 0.0 113.452 160.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.83 -49.49 76.1 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 120.154 1.343 . . . . 0.0 112.352 171.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.08 -38.12 85.2 Favored 'General case' 0 C--O 1.224 -0.246 0 O-C-N 121.23 -0.919 . . . . 0.0 111.863 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -63.41 -48.44 77.81 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 119.555 1.07 . . . . 0.0 110.334 177.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -67.3 -40.1 86.02 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.92 1.288 . . . . 0.0 113.25 177.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -68.31 -41.91 80.2 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 119.556 1.071 . . . . 0.0 111.044 175.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.6 -39.92 88.6 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.567 0.747 . . . . 0.0 111.707 175.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.0 mt -64.06 -49.69 80.39 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 CA-C-O 118.535 -0.745 . . . . 0.0 111.007 172.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -68.82 -41.05 79.14 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 120.392 1.451 . . . . 0.0 113.21 -178.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 25.9 ptt180 -63.89 -40.28 96.14 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 117.916 -1.04 . . . . 0.0 111.35 174.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -82.93 -32.82 27.01 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.815 1.189 . . . . 0.0 113.111 -178.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.434 ' HA ' HD11 ' A' ' 72' ' ' LEU . . . -52.9 -46.05 67.84 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.681 1.192 . . . . 0.0 110.395 162.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -71.09 -38.27 63.71 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-O 117.835 -1.536 . . . . 0.0 113.844 176.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -54.71 -42.91 72.08 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 120.538 2.169 . . . . 0.0 112.459 -177.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -75.95 -43.71 43.5 Favored 'General case' 0 C--O 1.225 -0.218 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 174.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 2.6 tp -61.75 -39.1 90.42 Favored 'General case' 0 CA--C 1.547 0.83 0 O-C-N 120.676 -1.265 . . . . 0.0 111.74 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -63.9 -0.1 1.0 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 128.961 2.904 . . . . 0.0 115.06 170.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.1 t -57.23 -17.18 10.4 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 121.114 -0.991 . . . . 0.0 112.782 161.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 98.15 0.57 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 130.313 3.445 . . . . 0.0 111.474 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.93 -29.36 75.15 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 124.932 1.253 . . . . 0.0 114.037 -177.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -137.57 -28.49 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 124.874 1.269 . . . . 0.0 111.781 177.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.06 128.63 34.13 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.281 1.032 . . . . 0.0 111.246 175.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -139.79 34.42 1.99 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.59 1.156 . . . . 0.0 112.133 -174.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 44.23 48.91 7.84 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.786 2.034 . . . . 0.0 114.537 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -171.9 -35.99 0.03 OUTLIER Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.087 1.327 . . . . 0.0 112.834 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -108.43 12.83 25.95 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.731 1.612 . . . . 0.0 112.359 168.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.29 -52.55 64.89 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 119.184 0.902 . . . . 0.0 110.328 175.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 69.5 m -63.59 -38.09 89.81 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.55 -49.65 68.09 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.559 0.744 . . . . 0.0 111.824 177.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 5.8 mp -63.43 -35.71 81.34 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 117.665 -1.159 . . . . 0.0 111.488 173.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.599 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . . . -65.88 -47.38 75.06 Favored 'General case' 0 N--CA 1.457 -0.103 0 CA-C-N 119.758 1.163 . . . . 0.0 112.638 178.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -56.13 -49.98 64.52 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 174.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.7 m -59.12 -43.5 91.95 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 173.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.44 ' HA ' HD21 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -61.16 -49.86 75.52 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 120.1 1.318 . . . . 0.0 110.653 177.667 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -61.49 -48.04 82.87 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 124.053 0.941 . . . . 0.0 110.661 -177.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.77 -31.1 71.27 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 118.411 -0.804 . . . . 0.0 112.981 172.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -81.56 -43.98 17.94 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.867 1.212 . . . . 0.0 112.487 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.417 HD13 ' HE1' ' A' ' 122' ' ' PHE . 4.0 tt -67.86 -39.13 83.79 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.883 1.273 . . . . 0.0 109.934 173.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.9 p -66.31 -48.36 70.61 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 117.285 -1.34 . . . . 0.0 111.986 169.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -56.51 -39.55 73.51 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 121.687 2.039 . . . . 0.0 111.619 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 40.7 t -59.9 -54.17 49.32 Favored 'General case' 0 CA--C 1.535 0.373 0 CA-C-O 117.928 -1.034 . . . . 0.0 111.749 169.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.49 -45.1 85.27 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 120.886 1.675 . . . . 0.0 113.907 177.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -62.01 -44.59 96.39 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 127.308 2.243 . . . . 0.0 111.925 178.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 72.7 m -76.85 -28.28 55.41 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.908 0.883 . . . . 0.0 112.44 174.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -70.84 -17.51 62.74 Favored 'General case' 0 C--O 1.219 -0.515 0 CA-C-O 116.943 -1.503 . . . . 0.0 112.237 171.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 56.7 m -54.72 -32.96 60.42 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 122.246 2.294 . . . . 0.0 112.39 164.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.79 -24.37 61.73 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.897 1.279 . . . . 0.0 114.05 173.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -106.5 -13.09 15.43 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.917 1.687 . . . . 0.0 113.907 -179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 46.6 tp60 -81.99 -35.88 28.48 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.644 2.378 . . . . 0.0 110.669 171.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -109.67 21.34 17.07 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.939 1.296 . . . . 0.0 112.122 -179.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.96 15.37 0.16 Allowed 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 174.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -53.89 -24.95 17.77 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.32 1.448 . . . . 0.0 113.359 173.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -80.69 -37.23 31.14 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.286 1.434 . . . . 0.0 113.277 171.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -72.02 -39.23 69.32 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 118.862 0.755 . . . . 0.0 111.881 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.99 -34.72 78.14 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 121.426 -0.797 . . . . 0.0 112.155 174.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -71.35 28.94 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 126.218 1.807 . . . . 0.0 114.153 173.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.66 -39.75 0.05 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 127.128 2.171 . . . . 0.0 111.715 170.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -89.99 -40.82 12.1 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 -178.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -82.39 -35.66 27.5 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.809 0.843 . . . . 0.0 112.011 177.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -60.67 -33.54 72.98 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.133 0.879 . . . . 0.0 112.913 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -76.54 -25.58 54.25 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.684 1.194 . . . . 0.0 112.598 173.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -87.98 5.14 42.23 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.264 1.425 . . . . 0.0 113.585 174.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -69.13 25.07 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 126.437 1.895 . . . . 0.0 114.609 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -105.22 15.69 26.99 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 127.467 2.307 . . . . 0.0 112.253 176.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -124.49 40.13 3.81 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.729 2.411 . . . . 0.0 110.495 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 29.9 m -50.98 103.4 0.06 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.724 2.01 . . . . 0.0 112.48 175.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -119.2 -34.9 3.73 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.691 1.196 . . . . 0.0 113.501 -172.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -143.85 -41.12 0.28 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.858 1.263 . . . . 0.0 112.593 175.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -148.82 -62.87 0.24 Allowed 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.165 0.586 . . . . 0.0 112.182 177.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 19.6 p -175.22 -55.51 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 125.344 1.458 . . . . 0.0 112.354 172.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -154.52 125.06 6.97 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.205 1.802 . . . . 0.0 110.092 -175.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 47.5 m 59.88 137.13 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 127.222 2.209 . . . . 0.0 114.379 -169.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.88 152.3 33.48 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.158 1.383 . . . . 0.0 111.665 177.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.202 0 C-N-CA 128.148 2.579 . . . . 0.0 115.241 -178.776 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.2 p . . . . . 0 N--CA 1.474 0.754 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.24 151.46 10.89 Favored Glycine 0 CA--C 1.538 1.505 0 C-N-CA 125.904 1.716 . . . . 0.0 114.281 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -156.61 144.84 19.65 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.324 1.45 . . . . 0.0 110.385 175.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.7 t -174.58 -37.0 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 125.072 1.349 . . . . 0.0 112.075 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.3 p -109.84 128.01 55.05 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 125.014 1.326 . . . . 0.0 111.883 179.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -140.94 69.57 1.34 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.009 1.724 . . . . 0.0 110.018 -175.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 63.94 115.9 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 128.486 2.714 . . . . 0.0 115.013 -176.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.1 83.83 1.8 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.319 1.447 . . . . 0.0 113.017 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.9 m -137.1 141.49 42.32 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.58 1.552 . . . . 0.0 110.279 176.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 60.9 mt-30 49.06 61.53 3.08 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.604 1.562 . . . . 0.0 114.182 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 t -72.13 25.03 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 125.641 1.576 . . . . 0.0 114.847 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 46.93 50.02 14.1 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 127.056 2.142 . . . . 0.0 114.126 -172.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 31.8 t -51.75 -30.12 21.42 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.737 1.615 . . . . 0.0 113.688 178.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.5 t 70.08 -39.4 0.44 Allowed 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 128.134 2.573 . . . . 0.0 116.09 168.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.5 t -129.1 44.48 2.96 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 126.312 1.845 . . . . 0.0 109.518 174.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -53.07 -25.89 14.26 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.613 1.565 . . . . 0.0 114.195 178.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.1 p -64.39 -38.71 91.98 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.171 1.389 . . . . 0.0 113.091 175.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 t -83.53 -37.71 22.68 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.018 0.927 . . . . 0.0 111.706 176.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.62 -35.17 79.62 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.479 -0.763 . . . . 0.0 112.514 173.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.443 ' CE2' ' HA ' ' A' ' 119' ' ' ALA . 4.2 t80 -54.43 -59.45 4.66 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.208 1.003 . . . . 0.0 109.824 164.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.22 -18.73 63.84 Favored 'General case' 0 CA--C 1.55 0.951 0 O-C-N 120.759 -1.213 . . . . 0.0 113.682 -176.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -76.1 -52.32 10.38 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.561 1.144 . . . . 0.0 112.533 169.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.71 -27.42 68.32 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.83 0.852 . . . . 0.0 112.99 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.435 ' HB1' ' HB2' ' A' ' 123' ' ' ALA . . . -51.67 -41.75 61.62 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.987 1.315 . . . . 0.0 111.763 168.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.2 t -56.32 -30.16 62.2 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 176.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.4 t -57.42 -40.25 77.94 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.243 -0.91 . . . . 0.0 112.385 175.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -90.97 -33.32 15.61 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.822 0.849 . . . . 0.0 112.752 177.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.12 -41.82 89.13 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.859 0.864 . . . . 0.0 111.276 174.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -69.13 -25.85 64.59 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.82 1.248 . . . . 0.0 114.023 173.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.33 -16.14 62.96 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.977 1.311 . . . . 0.0 113.154 173.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.3 m -125.39 66.51 1.15 Allowed 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.162 1.385 . . . . 0.0 111.848 -171.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 76.5 p -49.74 -28.94 6.78 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.76 -15.97 55.74 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 173.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.1 tt -63.95 -36.81 77.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 120.295 1.407 . . . . 0.0 111.631 171.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.7 m -69.09 -31.09 69.57 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.148 -0.97 . . . . 0.0 111.075 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.34 -31.9 73.18 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.753 0.821 . . . . 0.0 112.853 170.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.02 -50.26 73.28 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 118.65 0.659 . . . . 0.0 110.672 173.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -67.47 -37.99 83.75 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 173.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.76 -25.86 67.72 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 119.431 1.014 . . . . 0.0 113.305 173.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.0 t -75.87 -14.8 60.28 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.148 1.379 . . . . 0.0 113.988 174.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.7 p -136.23 97.5 1.68 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 CA-C-O 122.649 1.214 . . . . 0.0 112.13 -176.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.4 m -91.51 44.43 1.18 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.712 1.605 . . . . 0.0 112.798 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.78 134.56 22.35 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.32 1.048 . . . . 0.0 111.313 177.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.57 -51.98 67.58 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.972 0.909 . . . . 0.0 112.433 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.4 m -65.02 -35.53 81.49 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.416 1.086 . . . . 0.0 113.083 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.49 -28.67 56.55 Favored 'General case' 0 CA--C 1.54 0.595 0 O-C-N 121.206 -0.934 . . . . 0.0 112.27 175.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.98 -35.25 80.59 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 119.929 1.24 . . . . 0.0 111.15 167.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.9 m -60.24 -42.28 94.9 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 118.926 0.785 . . . . 0.0 112.417 167.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 17.3 t -63.77 -39.74 94.99 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.324 0.649 . . . . 0.0 112.708 173.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.54 -50.16 73.78 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 121.31 -0.869 . . . . 0.0 110.652 172.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.7 -36.06 73.62 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 119.848 1.204 . . . . 0.0 112.895 174.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -65.1 -56.0 15.51 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.297 -0.877 . . . . 0.0 111.919 173.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -64.01 -51.11 65.76 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 119.519 1.054 . . . . 0.0 112.919 -178.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 45.7 mm -71.38 -38.69 70.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.387 0 C-N-CA 124.237 1.015 . . . . 0.0 110.469 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.59 -34.94 91.29 Favored Glycine 0 CA--C 1.529 0.926 0 C-N-CA 124.285 0.945 . . . . 0.0 113.365 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.4 tp -54.18 -50.96 65.83 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.186 0.993 . . . . 0.0 110.762 170.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.7 t -74.86 -30.77 61.44 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.901 0.88 . . . . 0.0 113.356 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.57 -50.29 74.11 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 119.784 1.175 . . . . 0.0 111.389 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.64 -49.44 76.45 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 124.626 1.171 . . . . 0.0 112.071 169.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.59 -33.94 76.72 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 114.514 1.301 . . . . 0.0 114.514 -179.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 41.3 t -63.44 -35.62 81.04 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.701 1.6 . . . . 0.0 112.363 173.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.4 -7.75 58.19 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.602 1.161 . . . . 0.0 113.068 172.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.12 14.68 78.71 Favored Glycine 0 CA--C 1.537 1.441 0 C-N-CA 125.23 1.395 . . . . 0.0 114.854 -177.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 17.4 mm -75.51 113.51 14.45 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.536 0 C-N-CA 125.271 1.428 . . . . 0.0 110.803 -177.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.57 -13.91 59.99 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 177.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.9 m -70.2 7.74 0.93 Allowed 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 125.585 1.554 . . . . 0.0 113.725 171.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -44.15 -52.77 7.04 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 120.913 1.688 . . . . 0.0 114.676 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.1 t -69.01 -38.7 79.37 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.345 1.058 . . . . 0.0 113.331 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.14 -44.27 65.89 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.206 1.002 . . . . 0.0 112.294 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 16.8 tp -62.99 -51.31 67.35 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-O 117.32 -1.324 . . . . 0.0 109.617 170.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.59 -38.39 66.67 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 121.254 1.843 . . . . 0.0 112.669 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -71.45 -0.62 39.5 Favored Glycine 0 CA--C 1.537 1.452 0 C-N-CA 125.498 1.523 . . . . 0.0 116.321 172.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.69 -28.85 2.94 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 126.616 1.966 . . . . 0.0 112.642 177.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.3 tp -64.66 -39.24 93.35 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 127.373 2.269 . . . . 0.0 110.15 171.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.16 -33.29 67.27 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.794 1.238 . . . . 0.0 113.274 167.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.03 -38.54 52.65 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.958 1.254 . . . . 0.0 112.124 172.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.58 -49.72 72.26 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.204 0.911 . . . . 0.0 111.699 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.3 p -73.34 -40.11 56.26 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-N 118.506 0.594 . . . . 0.0 112.416 176.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -74.59 -28.31 63.6 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.041 0.829 . . . . 0.0 113.501 -174.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -60.57 -26.97 65.34 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.352 1.453 . . . . 0.0 113.801 173.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.5 t -136.27 36.48 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.098 0 C-N-CA 125.779 1.632 . . . . 0.0 110.183 176.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.63 135.46 25.06 Favored Glycine 0 CA--C 1.533 1.217 0 O-C-N 120.47 -1.394 . . . . 0.0 111.669 177.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 47.78 83.13 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.1 1.76 . . . . 0.0 115.23 -176.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -178.64 -38.91 0.06 OUTLIER Glycine 0 CA--C 1.531 1.075 0 N-CA-C 115.154 0.822 . . . . 0.0 115.154 170.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.16 -74.81 0.44 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 123.727 0.811 . . . . 0.0 112.02 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.8 t 161.36 168.1 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 128.279 2.632 . . . . 0.0 110.078 -176.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.28 -22.39 0.4 Allowed 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 161.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.7 t -61.37 -50.63 72.12 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 120.638 1.563 . . . . 0.0 112.03 169.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -68.16 -38.34 82.0 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 118.31 -0.852 . . . . 0.0 112.378 173.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -68.54 -42.46 78.39 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 119.885 1.22 . . . . 0.0 110.784 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -68.12 -40.34 82.52 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.987 0.915 . . . . 0.0 112.519 172.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -64.21 -38.67 91.9 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 120.102 1.319 . . . . 0.0 111.231 173.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.24 -47.59 76.25 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.061 0.945 . . . . 0.0 112.036 172.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -61.6 -42.41 94.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 123.388 0.675 . . . . 0.0 110.917 177.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -78.64 -41.87 30.31 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.793 1.237 . . . . 0.0 113.086 -176.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 28.2 ptt180 -62.75 -39.18 93.34 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 119.785 1.175 . . . . 0.0 111.038 173.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -80.07 -34.26 38.27 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 119.017 0.826 . . . . 0.0 112.615 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.6 -50.8 67.19 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 119.084 0.856 . . . . 0.0 110.395 162.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.63 -40.58 98.13 Favored Glycine 0 C--N 1.339 0.739 0 CA-C-O 117.992 -1.449 . . . . 0.0 112.724 176.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -54.88 -45.32 74.62 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.761 1.78 . . . . 0.0 112.72 178.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -70.91 -47.4 59.34 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.688 0.676 . . . . 0.0 110.794 178.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 5.8 mp -62.52 -36.51 82.79 Favored 'General case' 0 CA--C 1.544 0.72 0 O-C-N 120.932 -1.105 . . . . 0.0 112.871 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.82 -2.77 2.75 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 127.344 2.258 . . . . 0.0 114.606 172.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.4 t -59.93 -12.23 7.35 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 119.615 1.098 . . . . 0.0 113.413 164.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 87.85 5.47 0.26 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 129.021 2.928 . . . . 0.0 112.355 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -82.6 -12.53 80.03 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 124.804 1.193 . . . . 0.0 113.898 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 24.0 t -140.81 -45.7 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.298 1.439 . . . . 0.0 110.684 -177.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.73 142.47 35.41 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.596 -0.69 . . . . 0.0 111.58 174.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 -145.28 37.25 1.12 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.775 1.23 . . . . 0.0 112.674 -177.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 48.23 33.56 3.81 Favored 'General case' 0 CA--C 1.559 1.289 0 N-CA-C 115.556 1.688 . . . . 0.0 115.556 175.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -166.23 -43.42 0.02 OUTLIER Glycine 0 N--CA 1.474 1.232 0 C-N-CA 125.505 1.526 . . . . 0.0 112.409 -178.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -84.52 8.31 17.02 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 167.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.42 -44.97 89.29 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.796 1.18 . . . . 0.0 112.578 -177.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 51.8 p -70.24 -39.19 75.18 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 177.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.15 -52.24 63.26 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.82 0.848 . . . . 0.0 111.425 176.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -67.49 -29.64 69.12 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-O 117.963 -1.018 . . . . 0.0 111.902 176.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.443 ' HA ' ' CE2' ' A' ' 22' ' ' PHE . . . -67.52 -51.4 51.43 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 120.374 1.443 . . . . 0.0 114.0 174.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -52.32 -49.33 51.47 Favored Glycine 0 C--N 1.338 0.691 0 N-CA-C 109.677 -1.369 . . . . 0.0 109.677 173.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 63.2 m -58.67 -46.98 86.01 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 114.19 1.182 . . . . 0.0 114.19 173.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -66.84 -41.23 87.75 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 121.668 2.031 . . . . 0.0 111.868 -177.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.435 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . . . -59.83 -57.06 14.54 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.871 1.269 . . . . 0.0 111.02 173.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.98 -32.37 69.6 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 117.666 -1.159 . . . . 0.0 112.044 175.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.92 -44.71 60.9 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 120.48 1.491 . . . . 0.0 113.235 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.6 -42.52 99.62 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 121.616 -0.677 . . . . 0.0 109.659 171.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.7 m -62.68 -31.71 72.65 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 169.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -73.49 -43.74 59.48 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 121.184 1.811 . . . . 0.0 111.116 -176.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 44.0 t -57.51 -50.03 74.4 Favored 'General case' 0 C--O 1.224 -0.285 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.366 165.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.07 -44.69 87.67 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 120.144 1.338 . . . . 0.0 114.21 177.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -61.03 -42.73 99.03 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 126.66 1.984 . . . . 0.0 112.05 176.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 74.2 m -74.97 -34.35 62.01 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.544 0.738 . . . . 0.0 112.424 175.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -72.38 -22.83 61.08 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.155 0.982 . . . . 0.0 112.177 174.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 73.3 m -58.47 -13.86 6.51 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 120.877 1.672 . . . . 0.0 113.415 163.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -99.35 -6.94 26.97 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.428 1.491 . . . . 0.0 114.209 170.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -115.82 -22.55 9.04 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.378 1.471 . . . . 0.0 113.623 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -108.64 -35.33 6.46 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 127.932 2.493 . . . . 0.0 111.116 174.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -113.06 34.3 4.54 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.362 1.465 . . . . 0.0 111.572 178.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -51.98 -18.16 1.27 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.532 1.133 . . . . 0.0 113.783 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -45.45 -29.62 1.16 Allowed 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.972 1.309 . . . . 0.0 113.576 167.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -60.14 -23.78 64.19 Favored 'General case' 0 CA--C 1.55 0.971 0 O-C-N 120.816 -1.177 . . . . 0.0 113.795 173.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -77.78 -23.94 49.02 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.397 1.079 . . . . 0.0 113.707 175.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.72 -25.86 12.97 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.215 1.006 . . . . 0.0 112.83 177.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -71.97 34.8 0.06 Allowed 'General case' 0 CA--C 1.558 1.287 0 C-N-CA 126.502 1.921 . . . . 0.0 113.351 170.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 7.5 t -150.26 -48.84 0.13 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.038 1.335 . . . . 0.0 111.023 167.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.88 -41.95 34.99 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -77.6 -38.3 48.51 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.451 -0.78 . . . . 0.0 111.574 -177.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -65.71 -27.39 68.3 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.485 0.92 . . . . 0.0 113.485 173.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -67.02 -25.39 66.26 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 121.103 -0.998 . . . . 0.0 113.345 173.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -75.46 -5.47 45.22 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 172.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -75.21 17.04 0.27 Allowed 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 175.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -67.68 36.81 0.03 OUTLIER 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 127.327 2.251 . . . . 0.0 114.189 174.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -125.93 15.87 7.97 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 128.175 2.59 . . . . 0.0 111.421 -174.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 79.9 p -60.93 165.21 4.25 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.795 1.638 . . . . 0.0 113.957 172.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -100.45 20.63 14.55 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.673 1.189 . . . . 0.0 113.203 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -70.41 33.54 0.04 OUTLIER 'General case' 0 CA--C 1.556 1.191 0 C-N-CA 126.512 1.925 . . . . 0.0 114.736 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -58.66 -24.44 61.21 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.946 1.698 . . . . 0.0 114.0 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.1 t 51.4 47.34 25.01 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.834 1.653 . . . . 0.0 113.888 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -127.82 -87.68 0.56 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.198 1.399 . . . . 0.0 111.979 -174.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 47.6 p -98.02 4.36 49.31 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.171 1.388 . . . . 0.0 113.432 176.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 14.7 tpt85 -95.33 138.04 33.57 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 127.052 2.141 . . . . 0.0 110.934 177.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.295 0 C-N-CA 125.084 1.353 . . . . 0.0 113.237 176.493 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.55 166.24 10.92 Favored Glycine 0 N--CA 1.476 1.327 0 C-N-CA 125.349 1.452 . . . . 0.0 112.86 -178.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -156.77 162.58 39.75 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.364 1.066 . . . . 0.0 111.849 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 36.5 m -138.58 91.93 2.58 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 124.944 1.298 . . . . 0.0 109.711 179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.1 m -147.0 143.36 28.37 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.936 1.694 . . . . 0.0 110.855 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -115.74 -19.17 10.61 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.412 1.085 . . . . 0.0 113.711 176.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 39.23 53.37 2.2 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 127.962 2.505 . . . . 0.0 114.084 174.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.52 164.32 12.16 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 124.595 1.158 . . . . 0.0 112.668 -175.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.7 p -151.35 -49.65 0.12 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.787 1.235 . . . . 0.0 112.746 -176.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.45 113.06 8.1 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.401 1.08 . . . . 0.0 111.113 173.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.9 m -74.98 70.92 2.04 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.519 1.128 . . . . 0.0 111.496 172.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 62.21 -22.02 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 128.724 2.81 . . . . 0.0 117.7 -174.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . 0.271 78.9 p 42.95 31.77 0.35 Allowed 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 127.621 2.368 . . . . 0.0 116.425 177.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -154.27 -40.21 0.09 Allowed 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.2 m -115.03 20.9 14.71 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 125.258 1.423 . . . . 0.0 113.646 -177.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -56.51 -23.46 39.77 Favored 'General case' 0 CA--C 1.553 1.074 0 CA-C-N 112.886 -1.961 . . . . 0.0 115.532 177.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.6 t -67.33 -37.26 83.0 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.424 1.09 . . . . 0.0 113.437 -176.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.3 t -84.43 -34.15 23.54 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 121.567 -0.708 . . . . 0.0 111.908 175.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.49 -33.15 74.52 Favored 'General case' 0 CA--C 1.559 1.308 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -47.48 -53.32 14.53 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.3 1.44 . . . . 0.0 109.562 165.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.82 -16.64 59.12 Favored 'General case' 0 CA--C 1.562 1.412 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -176.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -78.14 -42.82 30.58 Favored 'General case' 0 CA--C 1.558 1.267 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 170.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.9 -31.69 66.65 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 174.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.33 -45.36 54.83 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 126.387 1.875 . . . . 0.0 111.383 166.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.49 -27.14 46.73 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 114.745 1.387 . . . . 0.0 114.745 173.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.3 t -60.4 -39.49 87.54 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.203 -0.936 . . . . 0.0 113.487 174.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.33 -29.15 15.78 Favored 'General case' 0 CA--C 1.547 0.861 0 N-CA-C 112.335 0.495 . . . . 0.0 112.335 175.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.18 -41.17 92.33 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 124.444 1.098 . . . . 0.0 111.753 173.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.18 -25.5 68.11 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 172.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 m -73.0 -9.44 58.73 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 126.315 1.846 . . . . 0.0 113.373 170.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.5 t -130.17 70.08 1.44 Allowed 'General case' 0 CA--C 1.533 0.321 0 O-C-N 120.29 -1.506 . . . . 0.0 110.642 -175.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.3 t -53.34 -27.32 22.86 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 174.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.57 -15.68 40.97 Favored 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 115.877 1.806 . . . . 0.0 115.877 170.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.4 tt -67.44 -39.01 81.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 O-C-N 120.815 -1.178 . . . . 0.0 111.233 167.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.2 m -66.6 -32.89 74.51 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 123.78 0.832 . . . . 0.0 111.651 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -35.39 70.67 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.839 1.656 . . . . 0.0 111.829 168.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.51 -46.54 86.53 Favored 'General case' 0 CA--C 1.55 0.959 0 CA-C-N 119.16 0.891 . . . . 0.0 110.382 179.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -70.05 -34.16 72.87 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 174.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.83 -32.3 71.69 Favored 'General case' 0 CA--C 1.56 1.329 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 171.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.53 -16.96 61.77 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 125.839 1.656 . . . . 0.0 115.075 173.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -140.17 102.11 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.045 0 CA-C-O 122.698 1.237 . . . . 0.0 111.506 -175.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.9 p -92.45 27.85 2.15 Favored 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 127.724 2.409 . . . . 0.0 114.837 -174.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.6 m -136.78 136.86 39.25 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.498 1.119 . . . . 0.0 112.191 -175.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.87 -50.98 71.98 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.8 t -69.07 -37.22 78.37 Favored 'General case' 0 N--CA 1.479 1.012 0 O-C-N 121.72 -0.613 . . . . 0.0 112.375 179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.26 -30.63 66.54 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 174.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.61 -36.41 83.64 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.476 1.034 . . . . 0.0 110.906 169.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -60.06 -42.51 94.65 Favored 'General case' 0 CA--C 1.552 1.048 0 CA-C-O 118.386 -0.816 . . . . 0.0 111.71 166.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 64.5 m -64.62 -39.13 93.16 Favored 'General case' 0 N--CA 1.481 1.118 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 173.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 tp -56.13 -56.51 19.98 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.182 1.393 . . . . 0.0 109.143 169.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.418 ' HB1' HD23 ' A' ' 76' ' ' LEU . . . -65.76 -27.29 68.19 Favored 'General case' 0 CA--C 1.556 1.208 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -63.63 -59.08 5.06 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 125.757 1.623 . . . . 0.0 112.082 164.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -54.99 -46.6 75.16 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 124.024 0.929 . . . . 0.0 111.356 -177.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 2.0 mp -80.69 -39.73 18.5 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.266 0 CA-C-O 118.157 -0.925 . . . . 0.0 112.404 -178.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.31 -35.49 78.84 Favored Glycine 0 N--CA 1.483 1.79 0 C-N-CA 124.53 1.062 . . . . 0.0 113.537 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.14 -55.73 31.17 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 125.085 1.354 . . . . 0.0 111.761 171.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 29.6 t -64.74 -33.18 75.37 Favored 'General case' 0 CA--C 1.561 1.398 0 C-N-CA 124.191 0.996 . . . . 0.0 113.169 176.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.96 -51.79 65.53 Favored 'General case' 0 C--O 1.255 1.355 0 C-N-CA 123.934 0.894 . . . . 0.0 112.355 176.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.1 -47.98 79.74 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.583 171.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -56.05 -45.42 79.23 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 120.814 -1.179 . . . . 0.0 112.056 176.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 30.4 t -61.02 -36.57 79.86 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.692 1.197 . . . . 0.0 112.431 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -78.3 -20.05 52.32 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.782 1.233 . . . . 0.0 113.081 171.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.09 6.24 45.72 Favored Glycine 0 CA--C 1.555 2.573 0 C-N-CA 125.687 1.613 . . . . 0.0 114.459 178.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.4 mt -76.01 106.33 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 C-N-CA 127.753 2.421 . . . . 0.0 109.137 -176.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.1 -9.04 35.36 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.391 1.077 . . . . 0.0 113.846 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.4 m -67.35 -1.89 5.35 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.572 1.149 . . . . 0.0 113.96 167.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.9 p30 -38.93 -50.89 1.77 Allowed 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 -178.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 14.4 t -61.47 -34.63 75.77 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.913 1.285 . . . . 0.0 114.022 177.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.27 -42.49 23.03 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 123.882 0.873 . . . . 0.0 112.362 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 31.2 tp -60.16 -46.3 90.17 Favored 'General case' 0 C--N 1.351 0.64 0 C-N-CA 124.751 1.22 . . . . 0.0 111.105 174.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.32 -40.48 74.47 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 123.496 0.718 . . . . 0.0 111.788 176.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.63 10.32 56.41 Favored Glycine 0 CA--C 1.56 2.859 0 C-N-CA 125.91 1.719 . . . . 0.0 115.939 173.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -130.16 -34.16 1.67 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.286 1.434 . . . . 0.0 112.39 -178.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.418 HD23 ' HB1' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -60.44 -40.37 90.85 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.511 1.124 . . . . 0.0 110.417 167.731 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.15 -35.95 65.27 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.026 0.93 . . . . 0.0 113.414 172.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -70.42 -42.87 71.03 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.247 1.019 . . . . 0.0 111.982 174.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.33 -43.52 85.89 Favored 'General case' 0 CA--C 1.555 1.138 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 174.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 59.5 t -72.37 -50.46 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.989 0 C-N-CA 125.938 1.695 . . . . 0.0 111.254 -178.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -59.2 -35.96 86.68 Favored Glycine 0 CA--C 1.544 1.896 0 C-N-CA 124.068 0.842 . . . . 0.0 112.139 174.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -54.95 -21.0 22.21 Favored Glycine 0 CA--C 1.546 2.026 0 C-N-CA 125.377 1.465 . . . . 0.0 116.083 173.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.2 t -131.81 15.61 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 C-N-CA 125.238 1.415 . . . . 0.0 110.282 176.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.03 128.16 45.62 Favored Glycine 0 CA--C 1.538 1.5 0 O-C-N 120.981 -1.074 . . . . 0.0 111.321 -178.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 48.31 88.4 0.02 OUTLIER 'General case' 0 CA--C 1.56 1.341 0 C-N-CA 126.967 2.107 . . . . 0.0 115.032 -176.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 179.77 -34.8 0.07 OUTLIER Glycine 0 N--CA 1.479 1.553 0 CA-C-O 119.144 -0.809 . . . . 0.0 114.572 170.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.6 -98.35 0.14 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.134 0.974 . . . . 0.0 110.314 171.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 91.4 p -174.68 -178.07 1.26 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 125.675 1.59 . . . . 0.0 111.185 179.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.0 -29.38 0.82 Allowed 'General case' 0 CA--C 1.543 0.675 0 CA-C-O 117.408 -1.282 . . . . 0.0 114.22 161.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.5 t -62.35 -49.44 75.58 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 119.846 1.203 . . . . 0.0 111.747 174.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.66 -35.93 75.59 Favored 'General case' 0 CA--C 1.553 1.069 0 O-C-N 121.727 -0.608 . . . . 0.0 112.416 176.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -65.67 -51.03 62.66 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 118.563 0.619 . . . . 0.0 109.5 178.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.04 -43.31 81.84 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.918 1.287 . . . . 0.0 113.623 172.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -70.04 -39.53 75.69 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-O 117.717 -1.135 . . . . 0.0 112.333 177.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.13 96.8 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 124.154 0.909 . . . . 0.0 112.364 172.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 33.0 mt -61.86 -56.9 14.75 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.065 0 C-N-CA 124.496 1.119 . . . . 0.0 111.689 173.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.46 -40.96 89.7 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.338 0.655 . . . . 0.0 112.379 -177.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 24.1 ptt180 -64.03 -45.21 89.9 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-O 116.456 -1.735 . . . . 0.0 110.749 174.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.76 -37.29 81.9 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 121.279 1.854 . . . . 0.0 111.937 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.37 -49.28 76.69 Favored 'General case' 0 CA--C 1.554 1.103 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 169.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -68.69 -37.13 84.23 Favored Glycine 0 CA--C 1.54 1.605 0 CA-C-O 119.279 -0.734 . . . . 0.0 113.225 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -56.19 -45.16 79.89 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.62 1.568 . . . . 0.0 111.36 175.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -63.3 -39.92 95.91 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-N 118.322 0.51 . . . . 0.0 111.187 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.1 mp -71.14 -39.22 72.12 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 124.69 1.196 . . . . 0.0 111.771 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.68 -39.22 91.08 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 124.31 1.044 . . . . 0.0 113.257 170.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 3.0 m -65.0 -46.46 81.32 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.886 1.674 . . . . 0.0 112.28 175.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -71.79 -51.4 22.81 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.441 1.096 . . . . 0.0 111.714 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 127.39 11.62 3.33 Favored Glycine 0 CA--C 1.547 2.09 0 N-CA-C 114.932 0.733 . . . . 0.0 114.932 -174.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 4.5 t -71.28 -42.51 74.5 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 C-N-CA 123.592 0.757 . . . . 0.0 109.92 178.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.8 mp -66.97 140.08 57.72 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.724 171.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -144.94 22.28 1.58 Allowed 'General case' 0 CA--C 1.562 1.408 0 C-N-CA 126.783 2.033 . . . . 0.0 112.134 -172.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 53.56 43.38 31.3 Favored 'General case' 0 CA--C 1.56 1.351 0 C-N-CA 125.685 1.594 . . . . 0.0 113.481 174.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -163.37 -40.65 0.02 OUTLIER Glycine 0 CA--C 1.537 1.422 0 C-N-CA 124.276 0.941 . . . . 0.0 113.073 175.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.6 10.76 29.06 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.237 1.415 . . . . 0.0 112.155 167.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.4 -49.66 76.69 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 120.935 1.698 . . . . 0.0 111.051 178.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 54.4 p -65.76 -37.53 86.61 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 176.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.85 -53.79 45.12 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 123.839 0.855 . . . . 0.0 111.543 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.6 mp -62.09 -35.88 80.02 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-O 116.811 -1.566 . . . . 0.0 111.991 172.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.77 -52.77 61.9 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 119.089 0.859 . . . . 0.0 113.045 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.89 -47.39 65.88 Favored Glycine 0 CA--C 1.56 2.875 0 O-C-N 125.073 1.483 . . . . 0.0 111.795 173.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 71.7 m -62.0 -43.69 98.3 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 116.294 -1.812 . . . . 0.0 115.457 173.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.41 -47.03 80.71 Favored 'General case' 0 CA--C 1.502 -0.889 0 O-C-N 124.39 1.056 . . . . 0.0 110.765 178.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -52.88 -55.18 25.09 Favored 'General case' 0 C--O 1.247 0.953 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 173.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -64.64 -29.62 70.63 Favored 'General case' 0 CA--C 1.549 0.929 0 O-C-N 126.573 2.421 . . . . 0.0 111.338 178.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -79.97 -45.41 18.52 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 119.767 1.167 . . . . 0.0 111.96 -176.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.6 tt -61.25 -46.81 88.87 Favored 'General case' 0 CA--C 1.555 1.142 0 O-C-N 124.731 1.269 . . . . 0.0 109.408 171.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 22.2 p -70.17 -32.96 71.15 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-O 118.126 -0.94 . . . . 0.0 113.536 174.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.24 -40.56 90.33 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 121.078 1.763 . . . . 0.0 112.21 173.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 19.9 t -59.33 -47.5 85.16 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-O 116.179 -1.867 . . . . 0.0 110.296 168.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.65 -41.78 95.65 Favored 'General case' 0 CA--C 1.563 1.47 0 CA-C-N 120.784 1.629 . . . . 0.0 114.382 175.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -56.23 -49.71 73.34 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 125.816 1.646 . . . . 0.0 111.121 170.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.1 t -71.86 -27.25 62.75 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.459 1.104 . . . . 0.0 111.829 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -66.74 -36.17 81.83 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 120.459 1.481 . . . . 0.0 112.29 172.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 6.6 t -60.03 -16.77 33.81 Favored 'General case' 0 CA--C 1.56 1.344 0 CA-C-N 119.47 1.032 . . . . 0.0 113.143 167.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -99.9 -7.58 25.09 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 126.242 1.817 . . . . 0.0 115.203 171.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -116.36 -22.37 8.83 Favored 'General case' 0 CA--C 1.558 1.281 0 C-N-CA 124.445 1.098 . . . . 0.0 113.522 -177.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.19 -16.53 12.55 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 126.852 2.061 . . . . 0.0 112.381 173.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.3 m -131.49 31.7 4.28 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.389 2.276 . . . . 0.0 110.862 -177.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -11.29 0.41 Allowed 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.623 1.169 . . . . 0.0 113.884 174.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -47.19 -37.28 9.91 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 124.853 1.261 . . . . 0.0 112.613 162.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -58.8 -33.55 70.48 Favored 'General case' 0 CA--C 1.552 1.051 0 C-N-CA 125.425 1.49 . . . . 0.0 114.234 174.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -68.95 -50.32 50.2 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.387 0.675 . . . . 0.0 111.141 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -69.34 -41.21 76.93 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-O 118.522 -0.751 . . . . 0.0 111.451 174.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -74.89 34.26 0.1 Allowed 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 126.182 1.793 . . . . 0.0 113.38 172.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 15.3 t -147.4 -47.69 0.17 Allowed 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 125.402 1.481 . . . . 0.0 110.515 166.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -77.18 -46.81 22.08 Favored 'General case' 0 CA--C 1.555 1.153 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 177.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -73.39 -37.97 65.8 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 121.627 -0.671 . . . . 0.0 112.468 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -65.05 -30.85 71.84 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 174.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -67.9 -25.1 65.33 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 173.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -88.83 -3.02 58.87 Favored 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 124.408 1.083 . . . . 0.0 113.038 174.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -75.32 9.71 1.96 Allowed 'General case' 0 CA--C 1.562 1.407 0 C-N-CA 125.182 1.393 . . . . 0.0 114.026 179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -62.67 21.0 0.01 OUTLIER 'General case' 0 CA--C 1.567 1.611 0 C-N-CA 126.756 2.022 . . . . 0.0 114.574 176.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -114.97 17.39 16.9 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 128.272 2.629 . . . . 0.0 112.331 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 9.7 t -110.85 176.08 5.17 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.656 1.983 . . . . 0.0 110.949 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -74.44 9.16 1.84 Allowed 'General case' 0 CA--C 1.567 1.621 0 C-N-CA 125.25 1.42 . . . . 0.0 113.879 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -81.15 32.34 0.33 Allowed 'General case' 0 CA--C 1.562 1.424 0 C-N-CA 125.891 1.676 . . . . 0.0 113.275 -176.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -55.62 154.28 6.89 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 125.632 1.573 . . . . 0.0 112.471 177.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 18.3 t -87.52 -36.7 17.46 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 113.164 0.802 . . . . 0.0 113.164 179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.79 123.63 18.95 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.467 0.707 . . . . 0.0 111.493 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 3.3 t 46.45 53.98 9.13 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 125.405 1.482 . . . . 0.0 114.534 -176.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 -135.47 126.51 27.85 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 125.73 1.612 . . . . 0.0 109.867 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.518 0 CA-C-O 116.401 -1.761 . . . . 0.0 114.843 173.442 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.4 m . . . . . 0 N--CA 1.471 0.593 0 N-CA-C 110.716 -0.105 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.13 -165.13 54.89 Favored Glycine 0 CA--C 1.537 1.44 0 O-C-N 121.806 -0.559 . . . . 0.0 112.852 -170.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.33 63.32 0.37 Allowed 'General case' 0 CA--C 1.554 1.104 0 C-N-CA 125.644 1.578 . . . . 0.0 113.603 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.6 p -69.81 55.75 0.13 Allowed 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 127.72 2.408 . . . . 0.0 114.107 177.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.9 t 83.31 109.18 0.06 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 128.983 2.913 . . . . 0.0 111.654 -178.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -137.27 76.13 1.57 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.866 1.666 . . . . 0.0 110.719 -174.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -149.52 162.36 40.31 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.896 1.678 . . . . 0.0 111.128 173.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.32 147.5 40.22 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.465 1.106 . . . . 0.0 112.71 174.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.0 p -93.23 -58.57 2.27 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.936 1.088 . . . . 0.0 113.936 -172.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 33.12 71.05 0.1 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 128.198 2.599 . . . . 0.0 115.626 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.6 t -148.36 -54.77 0.2 Allowed 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.38 -35.65 81.61 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -172.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.4 t 42.27 40.67 1.85 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.978 2.111 . . . . 0.0 115.843 174.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.08 -42.73 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 64.9 m -121.41 34.43 5.2 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.188 1.395 . . . . 0.0 112.173 -174.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -59.12 -21.55 59.47 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 124.801 1.24 . . . . 0.0 113.933 177.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.5 p -55.6 -36.22 66.68 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.759 1.223 . . . . 0.0 113.95 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 48.9 m -93.21 -30.71 15.06 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.48 0.712 . . . . 0.0 112.838 171.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.18 -43.41 98.89 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 120.016 1.28 . . . . 0.0 112.11 177.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -48.55 79.94 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.412 0.685 . . . . 0.0 110.281 172.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.89 -22.42 64.18 Favored 'General case' 0 CA--C 1.544 0.714 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -175.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.71 -35.71 22.34 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.489 1.116 . . . . 0.0 111.725 172.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.18 -29.03 66.94 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.226 -0.921 . . . . 0.0 113.18 170.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.428 ' HB1' ' HB2' ' A' ' 123' ' ' ALA . . . -52.35 -49.77 63.65 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.122 0.969 . . . . 0.0 111.439 165.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.9 m -58.68 -25.24 62.63 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.12 1.156 . . . . 0.0 114.12 175.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.0 t -60.4 -43.31 96.79 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.706 1.139 . . . . 0.0 111.913 172.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.02 -34.59 26.25 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 176.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.41 ' CD2' ' HB1' ' A' ' 93' ' ' ALA . 0.9 OUTLIER -60.79 -39.99 90.92 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.593 0.757 . . . . 0.0 111.538 175.331 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.97 -17.13 64.47 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 125.09 1.356 . . . . 0.0 114.13 171.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -81.99 -9.12 59.67 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.443 1.497 . . . . 0.0 112.694 172.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.8 t -124.66 73.8 1.29 Allowed 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 125.581 1.552 . . . . 0.0 111.122 -177.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.7 m -55.36 -29.38 58.27 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.751 -1.218 . . . . 0.0 113.588 177.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.2 -9.84 49.95 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 173.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.2 tt -66.0 -40.61 87.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 CA-C-N 120.717 1.598 . . . . 0.0 111.678 166.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.0 m -62.75 -28.65 70.12 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 121.638 -0.663 . . . . 0.0 111.615 176.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -30.08 70.3 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 124.08 0.952 . . . . 0.0 113.421 173.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.26 -50.76 72.36 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.024 0.829 . . . . 0.0 110.705 170.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -69.91 -30.95 68.49 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.586 -0.696 . . . . 0.0 112.65 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.03 -29.94 70.88 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 121.312 -0.867 . . . . 0.0 112.955 172.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -82.99 -20.22 35.52 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.467 1.107 . . . . 0.0 113.551 171.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.4 t -114.91 83.24 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.9 1.68 . . . . 0.0 110.744 -171.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.7 m -91.72 32.56 1.09 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.877 1.671 . . . . 0.0 113.749 -175.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.44 140.47 31.96 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.374 1.47 . . . . 0.0 111.664 -176.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.98 -59.16 5.47 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.663 1.185 . . . . 0.0 112.678 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 11.9 t -64.11 -34.06 77.2 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.577 0.751 . . . . 0.0 112.487 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.58 -34.61 74.39 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.009 -1.057 . . . . 0.0 112.637 175.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.61 -40.37 96.75 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.326 0.966 . . . . 0.0 110.66 169.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.8 m -58.78 -42.65 89.52 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.582 0.753 . . . . 0.0 112.162 170.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.6 m -65.47 -40.72 93.49 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.338 1.055 . . . . 0.0 112.683 176.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.9 tt -62.73 -49.5 74.8 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 118.738 0.699 . . . . 0.0 110.036 173.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.82 -37.58 84.98 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 121.172 -0.955 . . . . 0.0 113.09 176.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -60.13 -57.45 12.78 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 120.47 -1.394 . . . . 0.0 111.397 171.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -59.21 -51.52 69.64 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.555 1.07 . . . . 0.0 112.761 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 25.8 mm -73.71 -36.78 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 124.4 1.08 . . . . 0.0 111.218 -175.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.23 -34.33 87.8 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 125.031 1.3 . . . . 0.0 113.252 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.97 -49.48 76.66 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.057 0.943 . . . . 0.0 110.108 168.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 t -66.59 -34.85 78.8 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 175.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.23 -52.01 51.95 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.949 1.3 . . . . 0.0 111.705 178.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.77 -46.4 70.97 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.404 0.682 . . . . 0.0 110.971 170.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -60.25 -38.54 83.77 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.5 t -62.97 -33.53 75.58 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 125.326 1.451 . . . . 0.0 112.701 177.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.509 HD21 ' HA ' ' A' ' 122' ' ' PHE . 3.1 mm? -85.75 -7.56 58.69 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.832 1.253 . . . . 0.0 113.127 171.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.12 10.17 84.19 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 125.495 1.521 . . . . 0.0 114.515 -176.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 41.1 mm -72.76 103.63 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 C-N-CA 126.098 1.759 . . . . 0.0 110.159 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.83 -14.44 33.31 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 178.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.7 p -66.81 -2.27 4.89 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 170.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -31.68 -56.87 0.28 Allowed 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 116.01 1.856 . . . . 0.0 116.01 -178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 11.6 t -61.4 -41.17 96.72 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.648 1.579 . . . . 0.0 114.018 176.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.3 -44.23 59.5 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.207 1.403 . . . . 0.0 112.035 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 32.6 tp -63.08 -46.44 87.41 Favored 'General case' 0 C--O 1.22 -0.478 0 C-N-CA 123.941 0.897 . . . . 0.0 110.806 173.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.57 -40.83 72.46 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.95 1.25 . . . . 0.0 111.712 176.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -70.78 -4.41 53.81 Favored Glycine 0 CA--C 1.539 1.546 0 C-N-CA 125.447 1.499 . . . . 0.0 115.897 172.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -119.02 -22.53 7.21 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 126.71 2.004 . . . . 0.0 112.881 177.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.503 HD11 ' HA ' ' A' ' 96' ' ' ILE . 13.5 tp -73.43 -36.54 65.96 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.923 1.689 . . . . 0.0 110.622 176.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.83 -24.69 62.35 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 165.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.95 -43.22 36.04 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.281 1.4 . . . . 0.0 111.787 170.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.02 -35.77 81.34 Favored 'General case' 0 CA--C 1.545 0.788 0 CA-C-N 119.124 0.874 . . . . 0.0 112.39 176.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 64.3 t -89.71 -35.26 7.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 124.805 1.242 . . . . 0.0 112.747 -178.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -77.65 -32.3 46.74 Favored Glycine 0 N--CA 1.47 0.939 0 CA-C-N 119.249 0.931 . . . . 0.0 113.027 176.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -64.31 -20.24 65.1 Favored Glycine 0 CA--C 1.536 1.39 0 C-N-CA 124.788 1.185 . . . . 0.0 113.819 169.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.8 t -136.95 53.86 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 125.952 1.701 . . . . 0.0 109.828 176.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.46 117.91 6.02 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 121.249 -0.907 . . . . 0.0 111.184 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 56.21 112.24 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 127.243 2.217 . . . . 0.0 115.092 -169.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 164.08 -37.94 0.31 Allowed Glycine 0 N--CA 1.473 1.121 0 O-C-N 121.192 -0.943 . . . . 0.0 114.328 171.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -101.26 -75.27 0.59 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.289 1.036 . . . . 0.0 110.707 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.6 p 169.92 179.97 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 127.511 2.324 . . . . 0.0 111.499 177.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.39 -31.19 1.57 Allowed 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 162.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.2 m -66.91 -32.58 73.93 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.809 1.64 . . . . 0.0 113.553 175.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -67.62 -47.41 69.73 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 119.235 0.925 . . . . 0.0 111.42 171.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -66.65 -46.68 74.93 Favored 'General case' 0 C--O 1.221 -0.442 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -178.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.41 ' HB1' ' CD2' ' A' ' 30' ' ' LEU . . . -52.4 -53.46 44.79 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.387 1.475 . . . . 0.0 113.542 172.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -68.62 -38.51 80.61 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.11 -0.947 . . . . 0.0 111.681 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.92 -37.9 89.18 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.86 1.209 . . . . 0.0 112.672 174.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.503 ' HA ' HD11 ' A' ' 76' ' ' LEU . 40.3 mt -64.62 -54.48 29.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 126.091 1.756 . . . . 0.0 110.353 174.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.16 -49.22 77.76 Favored 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 123.311 0.644 . . . . 0.0 110.92 177.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 8.1 mtt-85 -54.62 -56.88 14.46 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.834 1.253 . . . . 0.0 111.473 175.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.21 81.19 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 120.381 1.446 . . . . 0.0 113.47 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.11 -47.61 82.72 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.557 -0.714 . . . . 0.0 112.5 171.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -84.01 -23.26 52.88 Favored Glycine 0 CA--C 1.532 1.113 0 N-CA-C 115.141 0.816 . . . . 0.0 115.141 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.4 mm-40 -53.52 -40.18 65.24 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.988 1.394 . . . . 0.0 109.833 163.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.15 -34.42 68.49 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 175.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 86.6 mt -64.41 -39.62 94.2 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 120.941 -1.099 . . . . 0.0 111.528 172.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.75 -43.05 80.81 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.467 1.507 . . . . 0.0 111.758 174.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.1 m -65.88 -44.22 86.0 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.602 1.561 . . . . 0.0 112.907 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -75.64 -19.24 59.33 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 96.61 19.15 28.16 Favored Glycine 0 CA--C 1.538 1.483 0 C-N-CA 124.901 1.238 . . . . 0.0 115.377 177.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.2 t -94.4 -29.0 4.16 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.201 0 C-N-CA 125.291 1.436 . . . . 0.0 111.954 -177.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 17.4 tp -100.61 123.0 44.23 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.141 1.776 . . . . 0.0 109.653 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -141.48 41.65 1.74 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.357 1.463 . . . . 0.0 111.209 -173.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 59.28 13.33 3.04 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 -177.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -112.1 -37.09 1.55 Allowed Glycine 0 N--CA 1.471 1.03 0 C-N-CA 124.984 1.278 . . . . 0.0 113.536 -176.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -116.85 32.18 6.31 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 126.63 1.972 . . . . 0.0 110.48 174.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.06 -58.43 7.93 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.85 1.26 . . . . 0.0 111.874 175.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 25.5 p -67.93 -32.24 72.56 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 113.604 0.965 . . . . 0.0 113.604 176.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.57 -54.34 20.71 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.468 0.576 . . . . 0.0 112.034 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.44 -44.24 65.2 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-O 117.337 -1.316 . . . . 0.0 111.96 178.085 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -74.36 -35.64 63.55 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 120.908 1.686 . . . . 0.0 113.04 -176.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.9 -52.23 50.19 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.17 -1.172 . . . . 0.0 110.17 166.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 70.6 m -63.29 -36.73 84.64 Favored 'General case' 0 C--O 1.219 -0.502 0 CA-C-O 117.709 -1.139 . . . . 0.0 114.073 175.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.509 ' HA ' HD21 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -68.29 -45.91 71.76 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 121.593 1.997 . . . . 0.0 111.13 177.776 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.428 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . . . -58.22 -51.51 69.47 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.76 0.824 . . . . 0.0 111.589 172.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -31.55 72.09 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-O 118.319 -0.848 . . . . 0.0 112.961 175.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -79.35 -44.88 20.69 Favored 'General case' 0 C--O 1.223 -0.309 0 CA-C-N 119.87 1.214 . . . . 0.0 111.505 -177.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.4 tt -62.4 -44.24 96.91 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.094 0.957 . . . . 0.0 109.98 172.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.0 p -67.01 -45.21 78.23 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-O 117.845 -1.074 . . . . 0.0 112.686 174.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -60.81 -39.75 90.15 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 120.936 1.698 . . . . 0.0 112.114 174.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 37.2 m -59.3 -43.81 92.59 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-O 117.449 -1.263 . . . . 0.0 110.66 169.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.8 -41.56 97.91 Favored 'General case' 0 CA--C 1.552 1.044 0 CA-C-N 121.108 1.776 . . . . 0.0 113.677 170.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -61.51 -41.2 96.96 Favored 'General case' 0 N--CA 1.479 0.992 0 CA-C-N 119.831 1.196 . . . . 0.0 111.934 176.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 74.9 m -78.75 -31.23 46.18 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.777 1.231 . . . . 0.0 112.42 176.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -67.57 -20.25 65.37 Favored 'General case' 0 C--O 1.222 -0.39 0 CA-C-O 117.277 -1.344 . . . . 0.0 112.093 172.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 70.3 m -53.38 -30.14 38.31 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 121.04 1.746 . . . . 0.0 113.325 164.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -77.56 -37.32 50.91 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.717 0.807 . . . . 0.0 112.981 172.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -81.34 -38.49 26.62 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -178.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -74.53 -24.91 59.03 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.775 1.63 . . . . 0.0 112.847 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.15 24.64 11.26 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.882 1.673 . . . . 0.0 111.512 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -6.07 3.63 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -51.7 -33.02 32.44 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.852 1.661 . . . . 0.0 112.933 169.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -84.19 -43.36 15.02 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 118.007 -0.997 . . . . 0.0 112.489 167.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -54.44 -29.17 48.62 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 115.431 1.641 . . . . 0.0 115.431 -173.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -41.83 81.09 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 118.898 0.772 . . . . 0.0 112.521 172.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -76.32 155.18 34.44 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 121.079 -1.013 . . . . 0.0 110.738 166.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 1.2 t 65.54 -13.62 0.13 Allowed 'General case' 0 N--CA 1.48 1.06 0 N-CA-C 116.32 1.97 . . . . 0.0 116.32 -176.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -106.33 -35.4 7.16 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-N 119.917 1.235 . . . . 0.0 112.769 168.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -83.61 -32.92 25.47 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.345 -0.847 . . . . 0.0 112.39 177.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -71.24 -37.76 71.98 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 121.06 -1.025 . . . . 0.0 112.308 174.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -75.23 -9.25 58.38 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.739 1.215 . . . . 0.0 113.346 174.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -65.21 -10.99 36.11 Favored 'General case' 0 CA--C 1.55 0.955 0 O-C-N 120.812 -1.18 . . . . 0.0 113.371 167.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -90.04 2.64 54.98 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 124.949 1.3 . . . . 0.0 113.465 169.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -93.26 16.8 12.32 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.348 1.459 . . . . 0.0 113.968 179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.11 60.06 0.05 OUTLIER 'General case' 0 CA--C 1.548 0.899 0 O-C-N 121.166 -0.959 . . . . 0.0 111.564 161.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 71.6 p -61.76 143.1 56.77 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 120.852 -1.155 . . . . 0.0 111.235 172.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -99.16 27.61 5.0 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.558 1.143 . . . . 0.0 112.19 -176.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -102.88 9.33 38.91 Favored 'General case' 0 CA--C 1.55 0.965 0 C-N-CA 126.202 1.801 . . . . 0.0 113.102 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -61.32 129.64 42.23 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 124.362 1.065 . . . . 0.0 111.378 174.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 19.3 m 53.01 -160.95 0.11 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.132 1.373 . . . . 0.0 113.916 -175.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -122.85 34.05 5.24 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 125.711 1.604 . . . . 0.0 111.988 179.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 3.3 m -146.77 -42.69 0.19 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.882 1.673 . . . . 0.0 113.674 -177.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -72.24 113.99 9.87 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.67 1.188 . . . . 0.0 109.652 178.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.641 0 C-N-CA 126.154 1.782 . . . . 0.0 114.771 -173.497 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.06 79.36 0.14 Allowed Glycine 0 CA--C 1.539 1.57 0 C-N-CA 124.962 1.268 . . . . 0.0 114.732 171.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 61.63 -179.45 0.12 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 126.337 1.855 . . . . 0.0 113.357 -168.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.3 t -78.55 62.53 3.16 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 123.041 1.401 . . . . 0.0 111.737 175.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 90.0 p -58.03 158.23 7.01 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.826 1.251 . . . . 0.0 112.421 174.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 50.81 74.67 0.22 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.222 1.409 . . . . 0.0 112.167 -167.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -38.25 95.97 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 127.414 2.285 . . . . 0.0 114.727 -176.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.65 170.51 15.65 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.819 1.248 . . . . 0.0 113.429 -173.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.7 p -134.9 165.75 24.6 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.412 1.885 . . . . 0.0 111.551 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.3 mp0 61.82 161.61 0.07 Allowed 'General case' 0 CA--C 1.558 1.258 0 C-N-CA 126.866 2.066 . . . . 0.0 113.502 -165.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.7 t -151.59 -38.94 0.12 Allowed 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 124.802 1.241 . . . . 0.0 113.559 -175.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -130.15 32.4 4.51 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.899 1.679 . . . . 0.0 111.226 -179.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.4 p -64.16 42.9 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 130.01 3.324 . . . . 0.0 115.683 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.3 t -148.72 -36.93 0.18 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.755 2.022 . . . . 0.0 112.01 -178.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 t -157.11 36.83 0.29 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.076 0.95 . . . . 0.0 113.347 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.534 ' CD1' ' HB2' ' A' ' 112' ' ' ALA . 48.9 p90 -51.18 -26.35 6.73 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 120.625 -1.297 . . . . 0.0 114.248 177.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.2 m -54.23 -27.8 37.0 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 175.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 94.0 p -102.35 -31.04 10.7 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.706 0.685 . . . . 0.0 112.396 170.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.95 -42.12 97.63 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 119.46 1.027 . . . . 0.0 112.228 176.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.48 ' CE1' ' HA3' ' A' ' 101' ' ' GLY . 0.2 OUTLIER -64.94 -47.86 76.18 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 118.642 0.655 . . . . 0.0 110.511 173.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.43 -20.54 63.78 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 121.093 -1.004 . . . . 0.0 113.272 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -89.94 -36.73 14.83 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.009 1.324 . . . . 0.0 112.259 171.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.03 -26.86 66.98 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 120.768 -1.208 . . . . 0.0 113.232 171.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -50.04 -46.24 52.86 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.001 0.92 . . . . 0.0 111.731 162.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.5 t -58.85 -31.17 68.27 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.207 1.003 . . . . 0.0 113.456 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.6 t -57.06 -38.9 73.93 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 121.384 -0.823 . . . . 0.0 112.521 173.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.7 -35.78 16.56 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.302 1.041 . . . . 0.0 113.31 177.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.497 ' HG ' HG21 ' A' ' 36' ' ' ILE . 2.1 tp -61.2 -42.61 98.89 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.929 1.291 . . . . 0.0 111.495 176.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.28 -22.84 65.63 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.672 1.189 . . . . 0.0 113.595 171.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.89 -17.02 62.14 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.911 1.284 . . . . 0.0 113.292 175.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -142.93 88.15 2.03 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.239 1.015 . . . . 0.0 112.331 179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.4 t -52.46 -21.09 3.35 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.634 1.574 . . . . 0.0 114.603 177.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.06 -24.14 65.98 Favored 'General case' 0 CA--C 1.547 0.859 0 O-C-N 120.332 -1.48 . . . . 0.0 114.496 173.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.497 HG21 ' HG ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -65.15 -36.32 77.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 O-C-N 120.819 -1.176 . . . . 0.0 111.046 169.91 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.9 m -69.44 -36.3 76.51 Favored 'General case' 0 CA--C 1.533 0.313 0 O-C-N 120.892 -1.13 . . . . 0.0 112.009 173.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.71 -32.7 69.44 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.063 -1.023 . . . . 0.0 112.312 169.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.545 ' HB2' ' HB1' ' A' ' 130' ' ' ALA . . . -56.62 -49.85 73.74 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.776 0.83 . . . . 0.0 112.413 176.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 89' ' ' ALA . 2.6 p90 -70.22 -35.53 73.94 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 118.697 -0.668 . . . . 0.0 111.611 172.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.92 -23.81 67.49 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 120.183 1.356 . . . . 0.0 114.063 -177.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.4 m -66.18 -3.55 5.88 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.124 1.37 . . . . 0.0 114.646 169.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.5 p -142.97 155.65 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 126.516 1.926 . . . . 0.0 111.027 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 64.5 p -146.57 31.79 0.97 Allowed 'General case' 0 N--CA 1.479 0.985 0 O-C-N 120.532 -1.355 . . . . 0.0 113.456 -172.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.9 t -142.33 137.82 30.82 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.503 1.521 . . . . 0.0 110.814 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.3 -43.6 88.17 Favored 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -177.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.2 m -72.89 -27.78 62.1 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.208 1.003 . . . . 0.0 113.533 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.36 -30.84 27.12 Favored 'General case' 0 CA--C 1.541 0.627 0 O-C-N 121.126 -0.984 . . . . 0.0 111.958 173.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.93 -32.86 74.77 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.208 -0.933 . . . . 0.0 112.027 168.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.7 p -65.07 -38.17 89.92 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 121.275 -0.891 . . . . 0.0 112.338 168.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.1 t -66.88 -35.67 80.55 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 119.453 1.024 . . . . 0.0 113.534 171.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 22.2 tp -59.7 -59.49 5.35 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 123.757 0.823 . . . . 0.0 109.938 169.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.43 ' HB1' HD23 ' A' ' 76' ' ' LEU . . . -64.92 -26.13 68.18 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 -177.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -61.14 -61.59 2.45 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.86 0.864 . . . . 0.0 110.294 166.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -61.84 -51.13 69.49 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.015 0.926 . . . . 0.0 113.3 -177.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 28.7 mm -68.64 -36.11 73.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 124.067 0.947 . . . . 0.0 110.747 179.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.38 -40.1 91.62 Favored Glycine 0 CA--C 1.531 1.059 0 CA-C-N 119.602 1.092 . . . . 0.0 113.306 176.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.44 -48.82 79.47 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.435 1.094 . . . . 0.0 110.354 171.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.0 t -66.38 -38.38 87.39 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 176.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.98 -51.8 59.73 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.471 1.108 . . . . 0.0 111.484 177.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.52 -49.0 68.51 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.076 0.95 . . . . 0.0 111.513 173.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -57.04 -47.64 80.43 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.63 0.772 . . . . 0.0 112.525 174.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 32.5 t -57.29 -36.46 71.08 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.351 1.461 . . . . 0.0 112.656 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.524 HD11 ' HA ' ' A' ' 122' ' ' PHE . 8.6 mt -79.9 -33.94 39.48 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.396 1.478 . . . . 0.0 113.016 175.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 116.73 2.19 19.21 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 126.081 1.8 . . . . 0.0 114.779 -178.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 3.3 mp -68.17 107.14 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 C-N-CA 125.607 1.563 . . . . 0.0 110.057 177.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.56 -9.88 55.83 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 173.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.2 t -68.7 -0.82 5.75 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.186 0.994 . . . . 0.0 113.328 166.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.8 p30 -35.12 -51.39 0.54 Allowed 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 115.727 1.751 . . . . 0.0 115.727 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.4 t -65.13 -42.61 93.7 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.706 1.602 . . . . 0.0 114.228 177.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.81 -40.86 60.84 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 124.222 1.009 . . . . 0.0 111.567 179.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.6 tp -62.3 -42.94 99.79 Favored 'General case' 0 C--O 1.223 -0.334 0 C-N-CA 125.045 1.338 . . . . 0.0 111.518 172.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.71 -41.34 70.17 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 120.474 1.488 . . . . 0.0 111.81 175.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -74.34 2.54 44.92 Favored Glycine 0 CA--C 1.545 1.965 0 C-N-CA 125.622 1.582 . . . . 0.0 115.973 172.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -124.38 -34.09 2.95 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.736 1.614 . . . . 0.0 112.807 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.43 HD23 ' HB1' ' A' ' 53' ' ' ALA . 0.1 OUTLIER -62.57 -41.48 98.96 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.74 1.616 . . . . 0.0 110.561 167.8 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.61 -37.04 67.61 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.531 1.133 . . . . 0.0 112.811 171.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -74.28 -27.32 60.68 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.298 1.039 . . . . 0.0 113.124 176.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.7 -57.12 4.03 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.198 0.908 . . . . 0.0 111.619 171.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.405 HG11 ' CB ' ' A' ' 53' ' ' ALA . 6.0 p -67.1 -32.13 56.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.017 0 O-C-N 121.429 -0.794 . . . . 0.0 112.527 -178.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -85.96 -26.25 35.11 Favored Glycine 0 CA--C 1.533 1.169 0 C-N-CA 124.675 1.131 . . . . 0.0 112.748 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -65.24 -25.54 71.17 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 124.226 0.917 . . . . 0.0 113.349 168.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 t -134.19 41.57 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 125.599 1.56 . . . . 0.0 110.833 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -90.15 153.86 23.21 Favored Glycine 0 CA--C 1.536 1.36 0 O-C-N 121.063 -1.023 . . . . 0.0 112.672 178.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 39.03 66.66 0.52 Allowed 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.684 1.994 . . . . 0.0 115.294 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -173.74 -35.55 0.04 OUTLIER Glycine 0 N--CA 1.475 1.256 0 N-CA-C 115.694 1.038 . . . . 0.0 115.694 174.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.39 -74.85 0.44 Allowed 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 118.051 0.926 . . . . 0.0 111.952 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.7 t 162.3 172.76 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 128.847 2.859 . . . . 0.0 110.099 -176.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 40' ' ' PHE . . . -40.31 -34.33 0.32 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.76 1.624 . . . . 0.0 114.069 157.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 t -59.13 -45.63 90.45 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.292 0.951 . . . . 0.0 111.576 176.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -72.71 -37.75 67.7 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 118.004 -0.998 . . . . 0.0 112.634 173.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -63.61 -51.8 63.67 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 120.223 1.374 . . . . 0.0 110.053 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.87 -48.9 74.74 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.389 1.476 . . . . 0.0 113.101 172.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -65.12 -38.93 92.23 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 119.352 0.978 . . . . 0.0 111.954 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.57 -46.32 76.39 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 119.754 1.161 . . . . 0.0 112.249 175.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 51.5 mt -59.3 -52.69 57.84 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.543 0 C-N-CA 126.192 1.797 . . . . 0.0 110.405 175.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -66.86 -49.14 66.64 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.493 1.117 . . . . 0.0 112.454 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -58.69 -43.15 89.93 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.313 0.96 . . . . 0.0 111.003 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.36 88.12 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 119.629 1.104 . . . . 0.0 112.797 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.407 ' HB1' ' CG ' ' A' ' 122' ' ' PHE . . . -52.69 -47.77 67.0 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.366 0.666 . . . . 0.0 111.414 172.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.48 ' HA3' ' CE1' ' A' ' 22' ' ' PHE . . . -83.2 -20.26 61.02 Favored Glycine 0 CA--C 1.537 1.422 0 CA-C-O 118.247 -1.307 . . . . 0.0 115.762 177.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.3 mt-30 -55.72 -45.3 77.97 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 120.348 2.074 . . . . 0.0 109.87 169.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -62.81 -44.68 95.52 Favored 'General case' 0 CA--C 1.534 0.35 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 76.2 mt -59.57 -41.51 90.35 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.505 1.048 . . . . 0.0 112.109 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.17 -38.21 89.84 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.186 1.394 . . . . 0.0 112.13 174.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.2 m -67.65 -43.61 79.88 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.605 1.562 . . . . 0.0 112.799 175.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -72.35 -41.4 66.5 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.418 1.087 . . . . 0.0 112.537 177.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 97.16 21.18 21.12 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 123.863 0.744 . . . . 0.0 114.265 -172.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.01 -31.08 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 118.708 1.254 . . . . 0.0 110.977 163.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 15.7 tp -94.08 122.48 36.64 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.817 1.647 . . . . 0.0 109.548 173.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -131.1 26.19 4.9 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.82 1.248 . . . . 0.0 112.75 -172.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.534 ' HB2' ' CD1' ' A' ' 18' ' ' TYR . . . 60.79 25.65 15.5 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.805 1.642 . . . . 0.0 115.205 -177.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -135.62 -27.66 0.43 Allowed Glycine 0 N--CA 1.477 1.372 0 C-N-CA 125.342 1.448 . . . . 0.0 114.221 178.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -114.28 31.78 6.37 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.35 1.86 . . . . 0.0 111.17 171.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.51 -54.3 48.44 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.154 1.382 . . . . 0.0 112.867 177.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 52.8 p -69.24 -32.43 71.64 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.29 -54.72 21.51 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.107 0.563 . . . . 0.0 111.614 175.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -67.55 -51.01 55.82 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.394 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -73.99 -31.91 63.18 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.953 1.252 . . . . 0.0 113.11 -175.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -60.85 -45.68 96.04 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 166.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 6.4 t -63.49 -42.35 98.53 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 118.286 1.043 . . . . 0.0 112.294 173.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.524 ' HA ' HD11 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -64.22 -43.38 95.15 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 120.423 1.465 . . . . 0.0 111.891 178.766 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -57.67 -56.18 25.21 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.732 1.213 . . . . 0.0 111.785 171.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 2.7 ptt85 -62.15 -28.32 69.57 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-O 118.698 -0.668 . . . . 0.0 112.243 177.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.98 -38.94 64.0 Favored 'General case' 0 C--O 1.225 -0.234 0 C-N-CA 124.384 1.074 . . . . 0.0 111.322 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -40.12 83.61 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 119.105 0.866 . . . . 0.0 111.571 164.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.5 m -62.97 -51.86 65.22 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.943 0.792 . . . . 0.0 111.919 172.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -64.82 -40.08 94.62 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.707 1.203 . . . . 0.0 112.626 -177.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 95.9 p -68.5 -40.85 80.69 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-O 117.31 -1.328 . . . . 0.0 111.239 171.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.545 ' HB1' ' HB2' ' A' ' 39' ' ' ALA . . . -61.14 -42.0 97.77 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 121.442 1.928 . . . . 0.0 114.042 172.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -57.99 -37.17 73.75 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.285 1.434 . . . . 0.0 111.922 175.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 74.8 m -82.76 -37.74 24.19 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.458 1.103 . . . . 0.0 113.127 173.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -67.35 -15.51 63.72 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 125.414 1.486 . . . . 0.0 112.317 176.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 35.6 t -49.68 -38.63 33.51 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 120.272 1.396 . . . . 0.0 112.088 162.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -21.04 64.51 Favored 'General case' 0 CA--C 1.551 0.996 0 O-C-N 120.366 -1.459 . . . . 0.0 114.212 172.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -112.6 -16.73 12.77 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 126.089 1.756 . . . . 0.0 113.969 -177.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -103.95 -24.54 13.24 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 127.0 2.12 . . . . 0.0 111.904 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 15.4 m -114.43 21.43 14.6 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.489 1.916 . . . . 0.0 111.407 175.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -63.01 15.3 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.461 1.504 . . . . 0.0 114.74 174.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -50.27 -28.41 7.68 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 126.003 1.721 . . . . 0.0 114.031 175.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -77.61 -49.43 14.61 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.201 1.401 . . . . 0.0 112.853 168.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -73.64 -22.4 60.0 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 -174.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.85 -26.37 37.03 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.313 1.445 . . . . 0.0 113.416 175.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -58.83 142.71 49.65 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.069 0.85 . . . . 0.0 111.517 -178.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 5.5 t 85.85 -32.23 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 128.712 2.805 . . . . 0.0 113.344 -169.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -97.5 -48.5 5.25 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.907 0.883 . . . . 0.0 112.216 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.75 -35.94 67.59 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.61 1.164 . . . . 0.0 112.806 177.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -61.55 -33.77 74.42 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 118.692 0.678 . . . . 0.0 112.198 178.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -80.43 -15.04 57.74 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 125.567 1.547 . . . . 0.0 113.353 173.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -100.82 6.5 43.81 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 125.883 1.673 . . . . 0.0 113.039 175.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -64.62 6.42 0.22 Allowed 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 126.341 1.856 . . . . 0.0 114.953 176.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -68.0 -0.31 4.28 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 126.674 1.989 . . . . 0.0 114.486 171.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -108.99 60.44 0.6 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.142 2.177 . . . . 0.0 109.696 175.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 9.5 p -59.47 96.65 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 126.192 1.797 . . . . 0.0 113.084 179.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -84.61 16.14 3.38 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.468 1.507 . . . . 0.0 114.125 -178.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -68.19 39.52 0.03 OUTLIER 'General case' 0 CA--C 1.557 1.233 0 C-N-CA 127.158 2.183 . . . . 0.0 114.186 172.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -65.17 171.79 3.48 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 127.286 2.234 . . . . 0.0 112.036 175.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 24.2 m -103.63 -31.89 9.68 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -177.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -93.74 166.23 12.31 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.65 1.18 . . . . 0.0 111.479 171.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 8.2 t 64.43 -48.91 0.31 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 128.304 2.641 . . . . 0.0 115.739 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.18 160.45 30.41 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.365 1.466 . . . . 0.0 112.743 173.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.557 1.215 0 C-N-CA 125.758 1.623 . . . . 0.0 114.302 -174.212 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.3 p . . . . . 0 N--CA 1.471 0.615 0 CA-C-O 121.027 0.441 . . . . 0.0 111.284 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.91 101.09 0.82 Allowed Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.459 1.028 . . . . 0.0 112.02 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -152.24 159.08 43.6 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.344 1.457 . . . . 0.0 110.79 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.3 t -150.83 140.48 21.68 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.325 1.05 . . . . 0.0 111.397 175.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.5 m -151.71 78.81 1.26 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.672 1.589 . . . . 0.0 110.419 -177.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.4 tt0 -145.26 98.57 3.18 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.668 0.787 . . . . 0.0 110.999 177.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -139.78 145.26 38.0 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.6 1.56 . . . . 0.0 110.841 177.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -155.31 173.68 16.29 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 126.187 1.795 . . . . 0.0 110.258 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.5 t -146.0 113.42 6.28 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.645 0.778 . . . . 0.0 110.756 176.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -158.82 59.8 0.43 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 126.854 2.062 . . . . 0.0 108.914 -178.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.3 p -69.96 62.89 0.2 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 125.562 1.545 . . . . 0.0 112.316 174.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 53.76 40.86 32.01 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 126.991 2.117 . . . . 0.0 114.276 -174.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . 0.322 59.0 p 49.02 48.93 20.23 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 126.902 2.081 . . . . 0.0 115.637 -178.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.5 p -155.05 155.0 33.33 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.831 1.652 . . . . 0.0 112.397 176.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 54.47 15.41 1.01 Allowed 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 126.185 1.794 . . . . 0.0 115.557 -175.223 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.508 ' CD2' ' HB2' ' A' ' 112' ' ' ALA . 3.2 p90 -56.83 -21.43 29.0 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 127.376 2.271 . . . . 0.0 114.21 179.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.4 t -72.42 -37.18 68.69 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.782 1.233 . . . . 0.0 112.48 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.0 t -83.64 -38.92 20.91 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.957 0.903 . . . . 0.0 111.578 173.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.8 -30.83 71.12 Favored 'General case' 0 CA--C 1.55 0.967 0 O-C-N 121.129 -0.982 . . . . 0.0 113.307 175.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.534 ' CD2' HD11 ' A' ' 110' ' ' LEU . 12.6 t80 -52.67 -55.42 22.72 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.942 1.297 . . . . 0.0 109.822 162.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.24 -19.95 65.0 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -172.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 21.7 tt0 -78.78 -39.9 34.66 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.426 1.091 . . . . 0.0 113.332 170.296 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.55 -31.64 71.0 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.014 -1.054 . . . . 0.0 112.545 173.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.483 ' HB1' ' HB2' ' A' ' 123' ' ' ALA . . . -52.79 -48.56 66.78 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.172 0.989 . . . . 0.0 110.835 163.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.99 -30.94 38.09 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 175.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.97 -37.93 81.05 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.92 1.236 . . . . 0.0 113.182 175.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.67 -32.46 14.73 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.732 0.813 . . . . 0.0 112.733 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.88 -43.33 94.83 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.532 0.733 . . . . 0.0 110.739 171.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.13 -22.06 66.37 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.574 1.149 . . . . 0.0 113.97 173.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.28 -13.7 61.98 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.721 1.208 . . . . 0.0 112.732 172.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.5 t -135.18 82.85 1.98 Allowed 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 126.02 1.728 . . . . 0.0 110.085 -178.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.4 t -53.69 -25.47 18.4 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.09 0.956 . . . . 0.0 113.081 175.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.5 -19.48 9.86 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 115.157 1.54 . . . . 0.0 115.157 169.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.5 tp -59.12 -42.06 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 CA-C-N 120.038 1.29 . . . . 0.0 111.997 168.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.7 t -69.06 -36.75 78.01 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.806 0.843 . . . . 0.0 109.827 175.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 21.9 ttt180 -62.54 -28.14 69.65 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.04 -1.038 . . . . 0.0 113.635 173.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.468 ' HB2' ' HB1' ' A' ' 130' ' ' ALA . . . -60.46 -51.65 68.55 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.789 0.836 . . . . 0.0 111.772 171.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -45.04 95.26 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-O 118.705 -0.664 . . . . 0.0 110.493 172.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.14 -20.28 57.69 Favored 'General case' 0 CA--C 1.548 0.904 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 -178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -65.55 -22.99 66.76 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.443 1.497 . . . . 0.0 114.057 173.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.87 158.2 39.63 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 C-N-CA 126.92 2.088 . . . . 0.0 110.565 -179.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.16 39.53 1.77 Allowed 'General case' 0 N--CA 1.477 0.903 0 O-C-N 120.687 -1.258 . . . . 0.0 112.222 -174.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.4 m -144.16 135.73 25.86 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 125.572 1.549 . . . . 0.0 111.419 -175.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.52 -45.86 84.49 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.474 1.51 . . . . 0.0 113.429 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.31 -36.6 58.23 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.604 0.762 . . . . 0.0 112.022 179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.43 -30.95 70.83 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.13 -0.982 . . . . 0.0 112.926 174.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.24 86.66 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.435 -0.79 . . . . 0.0 112.19 169.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -41.99 85.0 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 123.275 0.63 . . . . 0.0 111.342 168.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.6 m -65.75 -39.88 91.53 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 172.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 22.5 tp -57.2 -54.09 50.71 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 120.102 1.319 . . . . 0.0 110.279 171.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.54 -37.25 85.36 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.153 -0.967 . . . . 0.0 112.775 177.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -61.53 -50.99 70.46 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 119.985 1.266 . . . . 0.0 111.265 173.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.3 m-20 -62.02 -46.88 87.25 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.268 1.427 . . . . 0.0 112.513 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 26.2 mm -84.38 -36.8 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 C-N-CA 124.045 0.938 . . . . 0.0 111.4 -175.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.51 -32.43 68.76 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 125.122 1.344 . . . . 0.0 113.013 172.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.1 tp -57.2 -50.99 71.11 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 117.734 0.767 . . . . 0.0 111.225 169.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.8 t -70.02 -33.54 72.14 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.236 1.014 . . . . 0.0 113.037 177.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.21 -52.62 61.53 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.314 1.046 . . . . 0.0 111.976 177.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.87 -45.69 82.31 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.415 0.686 . . . . 0.0 110.802 173.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 34.2 ttt85 -59.62 -40.62 88.18 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 174.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 26.5 t -62.45 -34.83 77.57 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.885 1.674 . . . . 0.0 112.416 176.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.659 HD21 ' HA ' ' A' ' 122' ' ' PHE . 4.3 mm? -85.87 -12.77 49.86 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 124.977 1.311 . . . . 0.0 112.449 174.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.49 6.26 80.96 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.929 1.728 . . . . 0.0 114.47 -176.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 44.9 mm -68.28 108.02 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 C-N-CA 126.514 1.926 . . . . 0.0 109.8 175.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.84 -6.08 35.29 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.332 1.053 . . . . 0.0 113.752 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.9 m -79.84 18.51 0.79 Allowed 'General case' 0 C--O 1.223 -0.342 0 C-N-CA 125.44 1.496 . . . . 0.0 112.47 170.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -43.59 -51.51 6.86 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.63 1.172 . . . . 0.0 112.943 172.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.4 t -64.55 -43.97 92.26 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 177.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.37 -43.41 70.17 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.918 0.887 . . . . 0.0 111.94 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 13.3 tp -63.92 -45.5 88.95 Favored 'General case' 0 C--O 1.214 -0.77 0 C-N-CA 124.902 1.281 . . . . 0.0 110.865 171.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.3 -34.62 66.67 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 121.29 1.859 . . . . 0.0 111.868 176.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.62 -2.31 68.94 Favored Glycine 0 CA--C 1.545 1.96 0 C-N-CA 125.809 1.671 . . . . 0.0 116.315 170.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -120.95 -24.79 5.51 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 126.636 1.975 . . . . 0.0 112.885 176.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.503 HD11 ' HA ' ' A' ' 96' ' ' ILE . 12.7 tp -74.25 -41.69 60.88 Favored 'General case' 0 N--CA 1.461 0.124 0 C-N-CA 126.983 2.113 . . . . 0.0 109.94 175.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.12 -29.83 23.6 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.837 1.655 . . . . 0.0 113.248 166.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -83.77 -35.55 24.25 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.329 1.052 . . . . 0.0 112.489 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.0 -51.14 27.23 Favored 'General case' 0 CA--C 1.542 0.667 0 O-C-N 121.697 -0.627 . . . . 0.0 111.272 173.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.6 p -65.24 -38.53 82.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.304 0.641 . . . . 0.0 111.653 176.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -76.03 -25.79 65.86 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 124.663 1.125 . . . . 0.0 113.043 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.07 -20.95 60.94 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 125.25 1.405 . . . . 0.0 113.811 170.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.5 t -132.25 38.71 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 125.757 1.623 . . . . 0.0 110.258 174.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.36 89.28 0.08 OUTLIER Glycine 0 CA--C 1.535 1.342 0 C-N-CA 124.885 1.231 . . . . 0.0 112.574 176.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 67.07 104.34 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 127.998 2.519 . . . . 0.0 113.403 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 168.13 -21.23 0.09 OUTLIER Glycine 0 CA--C 1.534 1.275 0 C-N-CA 124.672 1.13 . . . . 0.0 114.113 -176.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -120.32 -71.77 0.72 Allowed 'General case' 0 CA--C 1.546 0.792 0 CA-C-O 117.461 -1.257 . . . . 0.0 112.243 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.4 t 156.61 -179.54 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 128.819 2.848 . . . . 0.0 110.702 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -43.54 -29.53 0.48 Allowed 'General case' 0 C--O 1.216 -0.671 0 C-N-CA 125.241 1.416 . . . . 0.0 113.599 161.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.7 m -64.02 -37.37 87.16 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 121.343 1.883 . . . . 0.0 113.729 173.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.99 89.43 Favored 'General case' 0 C--O 1.221 -0.412 0 CA-C-N 119.098 0.863 . . . . 0.0 111.692 171.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -74.85 -44.98 46.16 Favored 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 123.287 0.635 . . . . 0.0 109.499 -177.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.39 -53.33 59.38 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 126.798 2.039 . . . . 0.0 111.423 173.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.64 -37.64 82.73 Favored 'General case' 0 C--O 1.218 -0.575 0 CA-C-O 117.71 -1.138 . . . . 0.0 111.841 177.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.56 -48.22 73.15 Favored 'General case' 0 C--O 1.225 -0.189 0 CA-C-N 120.547 1.521 . . . . 0.0 111.057 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.503 ' HA ' HD11 ' A' ' 76' ' ' LEU . 66.5 mt -59.97 -47.69 90.7 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.424 0 C-N-CA 125.536 1.534 . . . . 0.0 110.112 175.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -70.15 -38.4 75.48 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.257 0.935 . . . . 0.0 113.483 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 33.1 mtt180 -63.43 -56.72 13.91 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 120.692 -1.255 . . . . 0.0 109.465 171.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.481 ' HB3' HD12 ' A' ' 76' ' ' LEU . . . -60.99 -35.14 76.04 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.965 1.257 . . . . 0.0 114.267 179.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -52.2 -62.78 1.42 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.515 1.126 . . . . 0.0 109.923 166.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -66.56 -30.04 75.78 Favored Glycine 0 CA--C 1.532 1.119 0 CA-C-O 119.137 -0.813 . . . . 0.0 114.398 -179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -56.73 -47.47 79.94 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.778 1.631 . . . . 0.0 109.93 175.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -66.15 -41.18 90.76 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 72.1 mt -65.53 -41.21 93.33 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.556 0.742 . . . . 0.0 111.874 178.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.62 -32.02 73.08 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.468 1.907 . . . . 0.0 112.913 172.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.2 m -74.39 -47.47 33.84 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.42 1.488 . . . . 0.0 112.16 175.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 -68.88 -50.57 48.6 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.596 1.158 . . . . 0.0 111.639 177.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 122.99 6.6 7.6 Favored Glycine 0 CA--C 1.536 1.389 0 C-N-CA 124.634 1.111 . . . . 0.0 114.575 -174.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.65 -39.61 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 CA-C-N 118.86 1.33 . . . . 0.0 110.676 167.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.534 HD11 ' CD2' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -87.69 125.42 34.39 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.218 1.007 . . . . 0.0 109.791 178.469 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -136.41 25.89 3.17 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.988 1.315 . . . . 0.0 111.628 -173.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.508 ' HB2' ' CD2' ' A' ' 18' ' ' TYR . . . 50.96 43.71 28.7 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.473 1.509 . . . . 0.0 114.054 -177.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -153.78 -42.31 0.02 OUTLIER Glycine 0 N--CA 1.474 1.205 0 C-N-CA 124.221 0.915 . . . . 0.0 112.778 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.05 9.95 42.46 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.343 1.457 . . . . 0.0 112.478 168.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.31 -52.47 65.49 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 119.699 1.136 . . . . 0.0 110.954 -178.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.1 t -62.34 -39.4 92.98 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.081 -1.012 . . . . 0.0 113.461 175.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.28 -52.22 65.62 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 123.428 0.691 . . . . 0.0 111.824 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.51 -30.99 67.9 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 117.542 -1.218 . . . . 0.0 112.281 175.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.51 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . . . -64.78 -52.38 57.22 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 120.389 1.449 . . . . 0.0 112.563 177.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -52.41 -49.6 50.94 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 172.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 34.8 m -59.76 -38.66 82.39 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 173.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.659 ' HA ' HD21 ' A' ' 64' ' ' LEU . 1.2 t80 -66.76 -47.64 71.59 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 121.246 1.839 . . . . 0.0 111.975 178.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.483 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . . . -59.15 -56.52 21.09 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 123.824 0.85 . . . . 0.0 111.243 174.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -32.81 68.13 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 119.039 -0.505 . . . . 0.0 111.728 174.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.84 -49.66 67.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 120.198 1.363 . . . . 0.0 111.649 176.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.418 HD13 ' CG2' ' A' ' 96' ' ' ILE . 0.0 OUTLIER -61.95 -36.09 80.38 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.662 0.785 . . . . 0.0 112.347 172.676 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -67.94 -43.24 79.59 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 118.619 -0.705 . . . . 0.0 111.14 175.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -67.35 -45.08 77.41 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.458 1.503 . . . . 0.0 112.339 176.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 15.3 p -62.94 -42.57 99.85 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 117.624 -1.179 . . . . 0.0 111.022 173.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.468 ' HB1' ' HB2' ' A' ' 39' ' ' ALA . . . -64.01 -43.38 95.8 Favored 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 120.878 1.672 . . . . 0.0 114.293 172.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -59.47 -44.96 92.9 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.164 1.785 . . . . 0.0 111.467 175.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 69.9 m -72.8 -35.83 67.45 Favored 'General case' 0 C--O 1.225 -0.231 0 C-N-CA 123.346 0.658 . . . . 0.0 111.399 174.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -63.03 -17.14 61.9 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 120.108 -1.62 . . . . 0.0 113.291 172.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 46.1 m -57.32 -26.28 60.66 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 120.504 1.502 . . . . 0.0 113.187 163.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.93 -48.48 45.03 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.061 0.944 . . . . 0.0 111.46 167.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -74.98 -32.07 61.6 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -174.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -70.93 -29.89 66.05 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.688 1.195 . . . . 0.0 112.547 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 66.3 m -120.11 31.19 6.62 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 126.382 1.873 . . . . 0.0 110.374 -176.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.96 0.68 4.18 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.457 1.28 . . . . 0.0 114.457 178.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -46.89 -30.05 2.32 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.782 2.033 . . . . 0.0 113.639 174.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -111.71 -29.67 7.62 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.325 1.05 . . . . 0.0 113.745 171.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 17.5 mm-40 -56.87 -28.72 62.14 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.38 1.072 . . . . 0.0 111.883 -176.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -50.84 -27.18 6.84 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 170.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -133.23 37.82 3.35 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.822 1.649 . . . . 0.0 111.547 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.74 -31.58 0.09 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.546 1.138 . . . . 0.0 113.384 176.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -97.56 -44.64 6.73 Favored 'General case' 0 C--O 1.225 -0.22 0 C-N-CA 125.36 1.464 . . . . 0.0 111.522 174.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -35.75 73.29 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 118.96 0.8 . . . . 0.0 112.037 176.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -75.8 -28.14 58.22 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 114.058 1.133 . . . . 0.0 114.058 174.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -85.39 -23.45 27.95 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.206 1.002 . . . . 0.0 113.01 176.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -70.12 10.11 0.48 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 127.038 2.135 . . . . 0.0 113.543 170.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -61.44 -11.58 11.13 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.185 1.394 . . . . 0.0 114.215 170.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -109.95 24.74 12.63 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 126.193 1.797 . . . . 0.0 112.708 175.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -69.52 49.95 0.09 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.525 1.53 . . . . 0.0 113.056 167.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 13.9 p -55.62 122.59 11.69 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 120.489 -1.382 . . . . 0.0 111.545 171.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -83.66 26.18 0.71 Allowed 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 124.903 1.281 . . . . 0.0 112.909 179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -88.64 12.95 13.34 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 126.499 1.92 . . . . 0.0 113.32 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -88.73 148.28 24.05 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.985 1.314 . . . . 0.0 111.67 179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 30.3 p -143.44 61.61 1.39 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.309 1.444 . . . . 0.0 111.794 -173.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -134.51 -61.27 0.77 Allowed 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.373 1.069 . . . . 0.0 112.587 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 20.3 p -164.92 60.36 0.13 Allowed 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.639 1.176 . . . . 0.0 112.237 -176.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.19 99.47 6.25 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.902 1.281 . . . . 0.0 110.994 -174.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.307 0 C-N-CA 127.216 2.206 . . . . 0.0 114.007 -174.639 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.06 71.46 0.04 OUTLIER Glycine 0 N--CA 1.469 0.844 0 O-C-N 120.514 -1.367 . . . . 0.0 113.146 -177.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -146.83 166.14 27.6 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.023 1.329 . . . . 0.0 111.555 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.0 t -74.33 151.96 39.69 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.82 0.848 . . . . 0.0 111.587 172.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.78 140.66 49.17 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.965 1.306 . . . . 0.0 110.669 176.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -102.24 63.27 0.89 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.667 1.187 . . . . 0.0 110.943 -178.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.97 172.58 10.7 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.992 0.917 . . . . 0.0 112.181 171.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -139.89 -179.41 5.93 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 125.915 1.686 . . . . 0.0 110.798 177.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -72.11 46.97 0.14 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 125.894 1.677 . . . . 0.0 113.663 176.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -154.88 137.57 15.23 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.808 2.043 . . . . 0.0 109.994 177.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.96 57.87 0.71 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.592 1.157 . . . . 0.0 109.034 174.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 59.64 49.67 8.08 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.679 1.992 . . . . 0.0 114.154 -175.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.87 43.48 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.506 0 C-N-CA 126.945 2.098 . . . . 0.0 116.278 -176.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -168.01 -37.81 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 128.02 2.528 . . . . 0.0 112.448 -177.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 36.0 p -135.18 29.75 3.34 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.681 1.992 . . . . 0.0 112.289 -176.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.0 p90 -52.35 -21.58 3.71 Favored 'General case' 0 C--O 1.221 -0.404 0 C-N-CA 125.793 1.637 . . . . 0.0 114.148 172.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 98.0 p -66.19 -37.14 84.88 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.923 1.238 . . . . 0.0 113.402 179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 89.3 p -90.75 -37.91 13.37 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 124.365 1.066 . . . . 0.0 111.753 176.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.65 -29.8 70.41 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.746 0.818 . . . . 0.0 113.194 174.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.425 ' CD2' ' HB2' ' A' ' 119' ' ' ALA . 10.6 t80 -53.04 -59.92 3.93 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.997 1.319 . . . . 0.0 109.822 163.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.17 -11.26 28.89 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -172.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -72.94 -46.98 49.46 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.627 1.571 . . . . 0.0 112.706 169.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.33 -23.78 57.3 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.4 1.08 . . . . 0.0 112.95 174.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.454 ' HB1' ' HB2' ' A' ' 123' ' ' ALA . . . -53.62 -46.55 70.51 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.309 0.644 . . . . 0.0 110.027 164.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.01 -29.7 44.42 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 173.559 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 13.9 m -60.81 -36.01 77.97 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 120.099 1.318 . . . . 0.0 113.165 176.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.68 -33.98 14.84 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.053 0.941 . . . . 0.0 112.458 176.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.488 ' CD1' ' HB1' ' A' ' 123' ' ' ALA . 0.4 OUTLIER -61.3 -41.34 96.83 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 123.538 0.735 . . . . 0.0 112.081 173.649 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.83 -21.08 66.45 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.222 1.409 . . . . 0.0 113.556 172.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.63 -14.31 59.99 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.251 1.421 . . . . 0.0 112.435 171.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.8 m -141.71 69.9 1.33 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.493 1.517 . . . . 0.0 112.132 -174.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.1 p -54.98 -19.12 6.08 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 114.716 1.376 . . . . 0.0 114.716 175.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.29 -21.46 3.52 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.451 1.5 . . . . 0.0 114.144 167.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -42.74 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 119.319 0.963 . . . . 0.0 112.292 171.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.9 m -67.25 -29.89 69.64 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.928 0.891 . . . . 0.0 110.421 178.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.2 -33.76 76.18 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.576 1.15 . . . . 0.0 113.494 171.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.95 -46.89 82.7 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 118.505 0.593 . . . . 0.0 111.233 175.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -69.76 -28.44 65.78 Favored 'General case' 0 C--O 1.222 -0.358 0 N-CA-C 113.04 0.755 . . . . 0.0 113.04 174.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.03 -20.85 64.14 Favored 'General case' 0 CA--C 1.549 0.941 0 CA-C-N 119.196 0.907 . . . . 0.0 113.051 171.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.0 t -73.7 -29.44 62.28 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.777 1.231 . . . . 0.0 113.33 176.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -109.86 153.49 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 126.27 1.828 . . . . 0.0 110.97 178.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.13 41.49 1.18 Allowed 'General case' 0 N--CA 1.48 1.064 0 O-C-N 120.595 -1.315 . . . . 0.0 112.614 -175.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.1 m -144.26 135.96 25.94 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.825 1.65 . . . . 0.0 110.528 -174.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.82 -48.99 79.44 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.107 0.963 . . . . 0.0 113.021 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.11 -36.94 69.58 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.178 0.991 . . . . 0.0 112.484 179.187 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.63 -32.56 68.1 Favored 'General case' 0 CA--C 1.543 0.682 0 O-C-N 120.653 -1.28 . . . . 0.0 112.877 175.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.84 -38.5 89.04 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.373 -0.83 . . . . 0.0 111.495 170.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.63 -39.9 95.29 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.491 0.587 . . . . 0.0 112.289 170.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.1 t -60.83 -46.82 89.06 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 118.344 -0.836 . . . . 0.0 111.841 170.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 tt -60.72 -43.79 97.42 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 120.269 1.395 . . . . 0.0 112.209 176.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.708 ' HB1' HD23 ' A' ' 76' ' ' LEU . . . -56.92 -40.95 77.29 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 120.948 -1.095 . . . . 0.0 113.22 170.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -64.36 -49.16 72.74 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.302 0.956 . . . . 0.0 111.394 170.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.79 -45.58 85.66 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.88 1.672 . . . . 0.0 112.61 -171.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.415 HG22 HD22 ' A' ' 126' ' ' LEU . 10.0 mm -86.19 -35.93 9.8 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 C-N-CA 125.791 1.636 . . . . 0.0 109.317 -179.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.92 -38.23 88.04 Favored Glycine 0 N--CA 1.477 1.394 0 C-N-CA 125.77 1.652 . . . . 0.0 113.597 172.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.4 -47.5 72.66 Favored 'General case' 0 C--O 1.224 -0.243 0 C-N-CA 123.221 0.608 . . . . 0.0 110.851 167.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 t -69.08 -33.9 74.26 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 177.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.01 -49.73 75.86 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 121.1 1.773 . . . . 0.0 111.666 173.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.84 -48.3 72.09 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 119.235 -0.412 . . . . 0.0 112.092 174.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -62.42 -37.13 84.65 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.95 1.3 . . . . 0.0 114.334 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 39.1 t -59.51 -36.61 76.43 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 126.066 1.746 . . . . 0.0 112.094 173.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 79.0 mt -88.97 -11.99 42.8 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.052 1.341 . . . . 0.0 113.212 175.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.96 7.37 70.65 Favored Glycine 0 CA--C 1.539 1.589 0 C-N-CA 126.414 1.959 . . . . 0.0 114.756 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 25.9 mm -65.35 107.59 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 C-N-CA 126.384 1.874 . . . . 0.0 109.922 176.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.9 -10.77 55.91 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.401 1.08 . . . . 0.0 113.775 175.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.6 m -70.85 2.15 4.63 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-O 117.914 -1.041 . . . . 0.0 112.759 166.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.3 p30 -40.22 -55.61 2.12 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 120.767 1.621 . . . . 0.0 114.572 173.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.8 t -64.74 -41.26 96.06 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.438 1.095 . . . . 0.0 113.449 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -74.27 -43.19 57.92 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.5 1.12 . . . . 0.0 111.987 -177.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -47.84 76.41 Favored 'General case' 0 C--O 1.216 -0.658 0 C-N-CA 126.737 2.015 . . . . 0.0 109.961 173.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -51.4 -42.62 61.57 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-N 120.637 1.562 . . . . 0.0 112.115 171.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -70.88 -2.93 48.83 Favored Glycine 0 CA--C 1.542 1.756 0 C-N-CA 125.722 1.63 . . . . 0.0 116.208 172.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -116.91 -26.76 6.79 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 127.397 2.279 . . . . 0.0 112.533 174.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.708 HD23 ' HB1' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -69.88 -44.84 68.94 Favored 'General case' 0 CA--C 1.523 -0.076 0 C-N-CA 126.502 1.921 . . . . 0.0 110.335 174.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -53.68 -27.55 28.34 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.08 1.352 . . . . 0.0 112.782 168.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -37.35 50.33 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.789 -1.194 . . . . 0.0 112.247 174.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.37 -51.94 31.95 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.723 0.692 . . . . 0.0 111.754 176.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.609 HG11 ' HB2' ' A' ' 53' ' ' ALA . 8.0 p -69.06 -35.47 68.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 O-C-N 121.622 -0.674 . . . . 0.0 111.941 175.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -72.9 -19.0 79.3 Favored Glycine 0 CA--C 1.53 1.023 0 C-N-CA 124.275 0.941 . . . . 0.0 112.771 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -74.91 -9.29 83.48 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 125.349 1.452 . . . . 0.0 114.217 168.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.4 p -137.13 16.56 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 125.028 1.331 . . . . 0.0 112.67 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -56.98 111.28 2.68 Favored Glycine 0 CA--C 1.534 1.246 0 C-N-CA 124.792 1.187 . . . . 0.0 112.117 -178.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 56.11 105.77 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.964 2.105 . . . . 0.0 114.637 -169.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 166.84 -43.8 0.26 Allowed Glycine 0 N--CA 1.472 1.034 0 O-C-N 121.371 -0.831 . . . . 0.0 113.558 171.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -89.57 -86.88 0.18 Allowed 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.992 0.917 . . . . 0.0 110.615 174.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 78.1 p 167.36 -176.72 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 127.564 2.346 . . . . 0.0 111.47 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.04 -26.87 0.49 Allowed 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 117.295 -1.336 . . . . 0.0 114.043 162.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.6 p -64.37 -48.02 77.07 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 121.376 1.898 . . . . 0.0 111.503 173.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.08 -32.76 69.49 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 117.881 -1.057 . . . . 0.0 111.926 176.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 1.9 m-30 -69.86 -52.56 23.83 Favored 'General case' 0 C--O 1.218 -0.603 0 CA-C-N 120.012 1.278 . . . . 0.0 109.223 176.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.7 -41.96 82.77 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.248 1.419 . . . . 0.0 113.672 175.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 79.3 m-20 -71.54 -44.09 65.22 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-O 118.295 -0.859 . . . . 0.0 110.748 175.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.33 -33.52 74.84 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 120.528 1.513 . . . . 0.0 112.088 174.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 32.3 mt -68.73 -58.86 4.52 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 C-N-CA 126.54 1.936 . . . . 0.0 109.391 173.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -63.48 -44.21 95.06 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 120.599 1.545 . . . . 0.0 113.021 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 1.5 ptm85 -62.18 -43.01 99.79 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.871 -1.143 . . . . 0.0 112.262 175.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.23 -37.9 69.06 Favored 'General case' 0 N--CA 1.46 0.075 0 CA-C-N 119.799 1.181 . . . . 0.0 110.966 176.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.413 ' HB1' ' CD1' ' A' ' 122' ' ' PHE . . . -55.13 -36.06 65.36 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 117.376 -1.297 . . . . 0.0 110.544 174.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.424 ' HA3' ' CD1' ' A' ' 22' ' ' PHE . . . -86.91 -27.62 28.32 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 125.349 1.452 . . . . 0.0 115.405 171.152 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.55 -41.62 81.34 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.508 1.654 . . . . 0.0 109.382 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -65.66 -42.59 91.2 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 111.999 0.37 . . . . 0.0 111.999 -176.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.533 HD21 ' CE2' ' A' ' 122' ' ' PHE . 0.2 OUTLIER -71.33 -36.38 71.53 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 121.793 -0.567 . . . . 0.0 111.549 178.037 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -64.09 -31.48 72.69 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 124.697 1.199 . . . . 0.0 112.992 170.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.2 m -80.75 -48.61 12.27 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.574 1.949 . . . . 0.0 112.042 178.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 42.5 tp60 -68.97 -46.55 67.84 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.614 1.166 . . . . 0.0 111.886 177.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 114.44 8.33 16.82 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.793 1.187 . . . . 0.0 114.452 -173.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 74.2 t -57.62 -34.1 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 118.865 1.332 . . . . 0.0 110.382 167.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.415 HD11 ' CD2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -79.77 138.31 37.23 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.614 0.766 . . . . 0.0 111.909 171.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -132.84 23.25 4.25 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.408 1.483 . . . . 0.0 112.348 -174.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 49.35 51.54 16.13 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.596 1.159 . . . . 0.0 113.602 -177.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -166.14 -47.39 0.02 OUTLIER Glycine 0 N--CA 1.472 1.089 0 C-N-CA 124.127 0.87 . . . . 0.0 113.109 -176.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.49 12.94 17.08 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.704 1.201 . . . . 0.0 112.401 165.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.09 -56.43 20.91 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 119.953 1.251 . . . . 0.0 110.295 176.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 36.5 m -66.83 -35.73 80.72 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -179.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.67 -51.24 58.32 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.994 0.918 . . . . 0.0 111.759 177.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.08 -27.79 65.93 Favored 'General case' 0 C--O 1.218 -0.592 0 C-N-CA 124.318 1.047 . . . . 0.0 111.382 176.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.425 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . . . -72.44 -54.48 9.22 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 119.507 1.049 . . . . 0.0 113.117 178.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -52.7 -45.74 60.08 Favored Glycine 0 CA--C 1.527 0.781 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 172.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.9 p -63.49 -41.87 98.56 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 116.954 -1.498 . . . . 0.0 113.399 174.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.533 ' CE2' HD21 ' A' ' 104' ' ' LEU . 0.5 OUTLIER -62.53 -46.39 88.59 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 121.967 2.167 . . . . 0.0 113.72 176.829 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.488 ' HB1' ' CD1' ' A' ' 30' ' ' LEU . . . -57.32 -56.33 23.22 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 124.445 1.098 . . . . 0.0 111.711 174.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.04 -32.66 72.27 Favored 'General case' 0 C--O 1.21 -0.977 0 CA-C-O 117.166 -1.397 . . . . 0.0 111.618 174.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -72.49 -37.76 68.34 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 121.246 1.839 . . . . 0.0 111.74 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.415 HD22 HG22 ' A' ' 56' ' ' ILE . 1.8 tm? -66.66 -52.72 41.75 Favored 'General case' 0 C--O 1.232 0.163 0 C-N-CA 124.363 1.065 . . . . 0.0 109.39 171.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.9 t -59.05 -34.32 71.79 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-O 118.55 -0.738 . . . . 0.0 112.527 175.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.17 96.74 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 120.931 1.696 . . . . 0.0 111.253 179.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 36.1 t -62.04 -53.35 56.83 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 118.901 -0.571 . . . . 0.0 110.615 169.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.71 -43.2 72.35 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -59.51 -40.34 86.8 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 128.859 2.864 . . . . 0.0 112.13 175.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 27.2 m -79.36 -32.27 43.17 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.821 0.848 . . . . 0.0 112.248 173.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -68.83 -27.28 65.7 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.108 1.363 . . . . 0.0 111.277 173.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 45.5 m -60.73 -5.62 1.37 Allowed 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.639 -1.288 . . . . 0.0 113.792 164.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -109.54 -12.9 14.63 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.78 1.632 . . . . 0.0 113.677 171.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -108.41 -22.09 12.46 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 125.349 1.459 . . . . 0.0 113.657 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -114.85 -23.99 8.88 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.184 2.194 . . . . 0.0 113.066 174.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 11.8 t -126.03 38.03 4.22 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.158 1.383 . . . . 0.0 110.796 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -13.93 0.19 Allowed 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.366 1.467 . . . . 0.0 114.246 172.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -50.26 -23.09 2.05 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.879 1.271 . . . . 0.0 113.515 163.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -75.27 -24.11 57.54 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.875 1.67 . . . . 0.0 114.079 171.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -78.85 -47.36 16.74 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 120.921 -1.112 . . . . 0.0 111.136 175.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -10.49 58.39 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 173.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -66.77 54.4 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 127.344 2.257 . . . . 0.0 113.865 173.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 42.4 t -164.49 -38.43 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 127.839 2.455 . . . . 0.0 110.721 175.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -102.92 -19.89 14.46 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 124.908 1.283 . . . . 0.0 113.96 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -107.0 -40.49 5.44 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.189 1.396 . . . . 0.0 112.343 177.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -59.2 -29.12 67.25 Favored 'General case' 0 N--CA 1.477 0.91 0 CA-C-N 119.304 0.956 . . . . 0.0 112.341 174.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -67.23 -22.39 65.7 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.299 1.44 . . . . 0.0 113.802 175.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -67.53 -26.2 66.21 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 119.403 1.002 . . . . 0.0 112.347 171.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -103.41 22.03 14.95 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 126.099 1.76 . . . . 0.0 112.605 175.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -73.7 21.3 0.09 Allowed 'General case' 0 CA--C 1.552 1.042 0 C-N-CA 125.335 1.454 . . . . 0.0 114.267 174.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -71.9 25.85 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 126.432 1.893 . . . . 0.0 114.199 176.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.6 179.08 4.17 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 126.417 1.887 . . . . 0.0 111.519 -177.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -84.06 26.98 0.69 Allowed 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 124.506 1.122 . . . . 0.0 113.416 175.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -80.35 34.95 0.32 Allowed 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 126.328 1.851 . . . . 0.0 112.908 175.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -56.61 160.51 3.23 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.895 1.278 . . . . 0.0 112.816 175.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 12.2 t -131.96 74.6 1.59 Allowed 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.085 1.354 . . . . 0.0 110.411 -175.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -143.9 -61.47 0.39 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.831 1.252 . . . . 0.0 112.253 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 8.0 m -112.24 -37.06 5.13 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.535 1.134 . . . . 0.0 113.531 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 4.6 tpt85 -60.55 99.85 0.09 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.664 1.585 . . . . 0.0 111.35 175.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.322 0 C-N-CA 126.02 1.728 . . . . 0.0 111.016 -178.829 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.5 p . . . . . 0 N--CA 1.478 0.941 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.31 59.84 0.01 OUTLIER Glycine 0 CA--C 1.532 1.15 0 C-N-CA 123.598 0.618 . . . . 0.0 114.113 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -137.5 118.13 13.98 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.575 1.15 . . . . 0.0 111.126 -178.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.1 t -145.24 27.15 1.28 Allowed 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.262 1.425 . . . . 0.0 111.928 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.92 83.74 1.7 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.447 1.499 . . . . 0.0 110.909 -174.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.46 59.3 1.03 Allowed 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.764 1.626 . . . . 0.0 111.127 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -150.57 115.27 5.23 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.413 1.485 . . . . 0.0 110.285 173.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -149.83 98.48 2.74 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.539 1.136 . . . . 0.0 111.677 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 44.7 p -161.08 147.5 14.78 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 126.562 1.945 . . . . 0.0 109.684 175.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 44.33 48.33 8.0 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.051 1.741 . . . . 0.0 114.874 -176.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 t -88.15 -55.24 3.83 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 121.488 -0.757 . . . . 0.0 113.031 -177.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.74 -37.84 85.47 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 8.5 t 55.18 112.11 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 128.372 2.669 . . . . 0.0 115.628 178.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.0 t 55.29 177.42 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 125.014 1.326 . . . . 0.0 112.539 -163.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 t 60.24 -7.11 0.07 Allowed 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 126.817 2.047 . . . . 0.0 115.351 -173.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -54.29 -22.35 11.65 Favored 'General case' 0 C--O 1.222 -0.381 0 C-N-CA 126.688 1.995 . . . . 0.0 113.708 171.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.1 p -71.92 -35.07 69.55 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 119.506 1.048 . . . . 0.0 112.37 -174.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 81.7 p -68.71 -41.02 79.68 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 118.51 0.595 . . . . 0.0 111.186 171.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.22 -39.69 82.29 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.26 1.024 . . . . 0.0 112.884 176.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.449 ' CD2' ' HB2' ' A' ' 119' ' ' ALA . 0.5 OUTLIER -58.56 -60.9 3.08 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.261 1.424 . . . . 0.0 109.342 168.386 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.55 -14.32 60.83 Favored 'General case' 0 CA--C 1.552 1.022 0 O-C-N 119.897 -1.752 . . . . 0.0 113.646 -175.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -82.17 -46.18 14.12 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.15 1.38 . . . . 0.0 113.081 167.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.61 -25.45 67.39 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 120.952 -1.093 . . . . 0.0 113.007 173.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.423 ' HB1' ' HB2' ' A' ' 123' ' ' ALA . . . -51.37 -48.88 62.37 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.427 1.091 . . . . 0.0 111.069 164.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.0 t -55.07 -27.69 46.81 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 174.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 t -58.8 -39.08 80.07 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.748 1.158 . . . . 0.0 112.676 175.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.39 -33.72 15.15 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.666 0.786 . . . . 0.0 112.856 175.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.424 HD13 ' HB1' ' A' ' 123' ' ' ALA . 0.4 OUTLIER -62.08 -36.43 81.66 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.385 0.674 . . . . 0.0 112.782 176.052 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.29 -22.37 66.83 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.317 1.447 . . . . 0.0 113.551 171.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -85.6 -6.62 59.14 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.393 1.877 . . . . 0.0 112.354 172.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -132.79 61.74 1.67 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 126.279 1.831 . . . . 0.0 111.721 -172.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.3 t -55.14 -26.65 39.91 Favored 'General case' 0 N--CA 1.479 1.02 0 O-C-N 121.044 -1.035 . . . . 0.0 113.741 178.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.23 -14.81 7.94 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 170.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.08 -39.95 87.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 O-C-N 120.382 -1.449 . . . . 0.0 111.842 168.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 55.1 m -66.14 -29.21 69.47 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 121.685 -0.634 . . . . 0.0 110.608 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.415 ' HA ' ' HB3' ' A' ' 41' ' ' ALA . 0.5 OUTLIER -68.17 -28.6 67.43 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.17 0.988 . . . . 0.0 113.49 171.719 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -58.07 -49.46 76.84 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.923 0.783 . . . . 0.0 110.262 170.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -68.34 -37.31 80.38 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.605 0.762 . . . . 0.0 112.555 175.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.415 ' HB3' ' HA ' ' A' ' 38' ' ' ARG . . . -62.26 -22.91 66.37 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 121.096 -1.002 . . . . 0.0 113.314 175.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 t -73.54 -6.22 45.17 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 125.237 1.415 . . . . 0.0 113.742 171.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.2 p -147.56 98.51 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.201 1.401 . . . . 0.0 113.277 -174.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.5 p -83.08 31.0 0.44 Allowed 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.311 1.444 . . . . 0.0 114.823 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.7 m -140.65 129.6 23.27 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.555 1.542 . . . . 0.0 111.681 -173.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.13 -46.62 89.02 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.284 1.034 . . . . 0.0 113.439 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.53 -34.2 72.01 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.322 0.649 . . . . 0.0 112.078 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.02 -31.87 61.46 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.01 -1.056 . . . . 0.0 112.721 173.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.08 -28.17 69.9 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 120.998 -1.064 . . . . 0.0 112.291 170.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.02 -41.19 97.83 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.445 -0.784 . . . . 0.0 112.493 167.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.7 t -66.01 -35.83 81.63 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.52 0.728 . . . . 0.0 112.492 172.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.1 tp -61.39 -50.73 71.68 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 119.443 1.02 . . . . 0.0 111.358 171.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.611 ' HB1' HD23 ' A' ' 76' ' ' LEU . . . -61.84 -30.81 71.09 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 176.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -61.43 -52.88 62.73 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 118.847 0.749 . . . . 0.0 110.53 164.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -58.0 -49.01 78.29 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 125.333 1.453 . . . . 0.0 112.634 -175.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 7.0 mm -86.07 -35.86 9.78 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.578 0 CA-C-O 118.588 -0.72 . . . . 0.0 111.184 -178.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.71 -35.76 92.35 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-N 120.295 1.407 . . . . 0.0 113.423 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.66 -53.2 60.79 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 117.977 0.889 . . . . 0.0 109.956 169.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.9 t -67.51 -28.49 67.87 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.09 -62.6 1.52 Allowed 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 125.131 1.372 . . . . 0.0 109.678 174.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.08 -45.03 42.55 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.658 0.783 . . . . 0.0 111.222 172.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 3.6 ttp180 -61.85 -41.47 97.86 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 120.488 -1.382 . . . . 0.0 114.293 174.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.7 m -62.09 -31.62 72.09 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 125.767 1.627 . . . . 0.0 112.738 175.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.47 HD13 ' CE1' ' A' ' 122' ' ' PHE . 1.3 mt -88.69 -15.07 35.79 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.994 1.317 . . . . 0.0 113.763 173.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.12 20.13 40.09 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 125.864 1.697 . . . . 0.0 114.586 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.6 mm -88.97 112.25 23.87 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 C-N-CA 127.101 2.16 . . . . 0.0 109.751 -174.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.29 -9.4 23.86 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 176.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.0 m -67.15 -6.88 19.63 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-O 117.519 -1.229 . . . . 0.0 113.091 167.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.4 p30 -39.86 -54.07 2.2 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-N 120.994 1.725 . . . . 0.0 115.06 177.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 9.8 t -63.7 -43.27 97.09 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 125.157 1.383 . . . . 0.0 113.504 178.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.23 -43.59 60.96 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.2 1.0 . . . . 0.0 111.623 -179.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 27.3 tp -62.02 -44.28 97.04 Favored 'General case' 0 C--O 1.217 -0.609 0 C-N-CA 126.73 2.012 . . . . 0.0 111.188 173.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.95 -35.37 66.6 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 120.713 1.597 . . . . 0.0 111.937 175.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -86.08 5.93 82.76 Favored Glycine 0 CA--C 1.541 1.666 0 C-N-CA 125.252 1.406 . . . . 0.0 115.99 172.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -127.6 -30.09 2.59 Favored 'General case' 0 N--CA 1.478 0.928 0 CA-C-N 119.779 1.789 . . . . 0.0 113.291 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.611 HD23 ' HB1' ' A' ' 53' ' ' ALA . 0.2 OUTLIER -68.89 -39.11 79.93 Favored 'General case' 0 N--CA 1.462 0.165 0 C-N-CA 126.574 1.95 . . . . 0.0 110.399 171.69 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.6 -33.03 44.46 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.228 1.411 . . . . 0.0 112.774 167.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.98 -29.54 60.93 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 120.981 -1.075 . . . . 0.0 112.958 174.2 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.18 -56.15 4.91 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.44 1.018 . . . . 0.0 111.205 174.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.569 HG11 ' CB ' ' A' ' 53' ' ' ALA . 7.9 p -65.66 -31.47 53.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 O-C-N 121.701 -0.624 . . . . 0.0 112.431 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -89.68 -20.03 45.75 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 124.978 1.275 . . . . 0.0 112.725 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.47 -24.05 77.32 Favored Glycine 0 CA--C 1.535 1.323 0 C-N-CA 124.663 1.125 . . . . 0.0 113.018 167.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 t -137.28 43.96 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 125.746 1.618 . . . . 0.0 110.948 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -91.4 150.66 20.54 Favored Glycine 0 CA--C 1.537 1.417 0 O-C-N 121.304 -0.873 . . . . 0.0 111.777 175.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 41.12 80.2 0.03 OUTLIER 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 126.762 2.025 . . . . 0.0 115.591 -177.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 176.17 -36.3 0.1 OUTLIER Glycine 0 N--CA 1.474 1.204 0 O-C-N 121.728 -0.608 . . . . 0.0 114.313 173.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -90.99 -87.85 0.19 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.25 1.02 . . . . 0.0 110.529 173.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 79.1 p 170.93 -176.27 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 126.985 2.114 . . . . 0.0 111.202 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.75 -25.23 1.17 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 117.668 -1.158 . . . . 0.0 113.689 161.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.21 -48.77 74.6 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 121.053 1.752 . . . . 0.0 111.525 172.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -69.63 -36.92 76.57 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 117.693 -1.146 . . . . 0.0 112.389 173.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -66.48 -51.96 51.25 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 120.544 1.52 . . . . 0.0 109.632 179.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.65 -41.65 95.4 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.594 1.157 . . . . 0.0 113.626 174.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -68.81 -41.91 78.02 Favored 'General case' 0 C--O 1.218 -0.604 0 CA-C-N 119.966 1.257 . . . . 0.0 110.867 176.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.47 -40.17 96.39 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 120.139 1.336 . . . . 0.0 111.903 174.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.5 mt -65.77 -52.99 43.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 126.239 1.816 . . . . 0.0 110.559 175.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.91 -61.7 2.31 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.778 0.831 . . . . 0.0 110.476 176.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -49.02 -40.35 30.66 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 120.216 1.371 . . . . 0.0 112.686 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.42 -39.0 68.21 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 119.219 0.918 . . . . 0.0 112.809 177.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.47 ' HB1' ' CD2' ' A' ' 122' ' ' PHE . . . -53.25 -42.04 66.08 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 117.957 0.344 . . . . 0.0 110.973 168.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.44 ' HA3' ' CE1' ' A' ' 22' ' ' PHE . . . -80.31 -25.3 57.48 Favored Glycine 0 N--CA 1.468 0.799 0 CA-C-O 118.207 -1.33 . . . . 0.0 115.549 175.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -55.14 -44.22 74.88 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 119.686 1.743 . . . . 0.0 110.284 171.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.11 -40.49 74.87 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 176.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.407 HD11 ' CE1' ' A' ' 122' ' ' PHE . 74.8 mt -61.33 -42.53 98.83 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.742 0.701 . . . . 0.0 111.649 177.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.12 -33.84 76.32 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 125.798 1.639 . . . . 0.0 113.201 173.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.1 m -73.64 -46.43 46.76 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.285 1.434 . . . . 0.0 112.45 176.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 17.7 tt0 -72.4 -40.3 67.29 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.52 1.128 . . . . 0.0 112.344 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 113.63 6.79 21.06 Favored Glycine 0 CA--C 1.534 1.23 0 C-N-CA 124.426 1.012 . . . . 0.0 114.38 -176.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.8 t -64.65 -36.79 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 CA-C-N 118.712 1.256 . . . . 0.0 110.701 171.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -86.38 127.0 34.76 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.191 0.996 . . . . 0.0 110.114 175.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -136.48 36.98 2.7 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.388 1.475 . . . . 0.0 111.666 -173.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 48.99 34.64 5.73 Favored 'General case' 0 CA--C 1.554 1.107 0 C-N-CA 125.313 1.445 . . . . 0.0 114.89 176.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -157.85 -46.33 0.01 OUTLIER Glycine 0 N--CA 1.474 1.213 0 C-N-CA 124.509 1.052 . . . . 0.0 113.663 -172.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -90.06 9.55 27.65 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.209 1.004 . . . . 0.0 112.578 163.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.37 -48.6 71.32 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.416 1.086 . . . . 0.0 111.423 179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 31.3 p -71.77 -36.79 70.48 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 176.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.71 -51.43 62.46 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 123.861 0.864 . . . . 0.0 111.587 178.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -32.44 73.75 Favored 'General case' 0 C--O 1.219 -0.531 0 CA-C-O 117.571 -1.204 . . . . 0.0 112.136 172.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.449 ' HB2' ' CD2' ' A' ' 22' ' ' PHE . . . -64.72 -53.73 42.57 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 120.629 1.559 . . . . 0.0 113.182 177.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.95 -44.99 72.23 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 109.814 -1.315 . . . . 0.0 109.814 173.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 5.2 t -60.41 -44.61 95.56 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 174.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.47 ' CE1' HD13 ' A' ' 64' ' ' LEU . 1.2 m-85 -68.12 -42.57 80.02 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 121.017 1.735 . . . . 0.0 114.105 178.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.424 ' HB1' HD13 ' A' ' 30' ' ' LEU . . . -58.67 -55.31 36.68 Favored 'General case' 0 N--CA 1.439 -0.996 0 C-N-CA 125.069 1.348 . . . . 0.0 110.624 172.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -34.3 74.93 Favored 'General case' 0 C--O 1.211 -0.963 0 CA-C-O 117.967 -1.016 . . . . 0.0 112.392 173.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -74.11 -46.45 42.65 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 121.515 1.961 . . . . 0.0 111.717 -177.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.1 tt -65.06 -45.11 86.67 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.657 0.783 . . . . 0.0 109.897 173.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 35.1 p -68.14 -40.95 82.31 Favored 'General case' 0 C--O 1.222 -0.35 0 O-C-N 120.62 -1.3 . . . . 0.0 113.955 177.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.431 ' HA ' ' HB2' ' A' ' 131' ' ' GLU . . . -65.39 -39.85 92.75 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.582 1.553 . . . . 0.0 111.971 174.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 33.5 t -57.7 -54.07 51.0 Favored 'General case' 0 C--O 1.232 0.173 0 C-N-CA 123.574 0.75 . . . . 0.0 110.302 172.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.04 -26.54 68.6 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 172.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.431 ' HB2' ' HA ' ' A' ' 128' ' ' ALA . 0.9 OUTLIER -65.19 -48.72 72.45 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 121.358 1.89 . . . . 0.0 110.809 176.023 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 31.4 m -71.71 -41.74 68.2 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.971 0.908 . . . . 0.0 111.468 177.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.53 -37.54 80.1 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 117.582 -1.199 . . . . 0.0 112.577 175.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 5.8 m -56.29 -35.12 67.13 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 121.374 1.897 . . . . 0.0 111.197 172.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -67.26 -25.33 66.01 Favored 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 173.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -97.55 -25.25 15.22 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.982 1.313 . . . . 0.0 113.45 177.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 29.3 tp60 -89.66 -33.34 16.67 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 127.378 2.271 . . . . 0.0 112.373 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 4.7 p -113.66 27.63 9.4 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.405 1.482 . . . . 0.0 112.091 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.46 -6.44 0.18 Allowed 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.096 1.359 . . . . 0.0 114.226 168.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -49.12 -26.45 2.76 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 120.346 -1.471 . . . . 0.0 113.322 167.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -64.88 -27.87 69.16 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.194 1.398 . . . . 0.0 114.53 170.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 21.5 mm100 -69.86 -40.96 75.44 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.315 1.046 . . . . 0.0 112.168 177.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.0 pp0? -86.63 -6.92 58.73 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.787 0.835 . . . . 0.0 113.205 175.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -76.52 -159.95 0.14 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 125.404 1.482 . . . . 0.0 112.183 169.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.4 t 68.05 -41.15 0.44 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 128.193 2.597 . . . . 0.0 114.66 -174.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -96.51 -34.34 11.51 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.378 1.471 . . . . 0.0 112.412 170.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.2 -40.64 23.54 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.329 1.052 . . . . 0.0 112.482 178.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -66.74 -32.22 73.38 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.583 -0.698 . . . . 0.0 112.035 175.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -70.82 -22.54 62.33 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.702 1.201 . . . . 0.0 113.577 174.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -62.7 -27.7 69.43 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.543 1.065 . . . . 0.0 112.717 172.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -105.73 16.45 25.27 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 125.737 1.615 . . . . 0.0 113.043 175.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -74.84 41.36 0.16 Allowed 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 124.831 1.253 . . . . 0.0 112.891 170.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -58.33 -29.69 66.13 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.46 1.104 . . . . 0.0 112.287 169.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 27.1 t -75.13 141.6 43.7 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 124.941 1.296 . . . . 0.0 111.504 172.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -94.23 15.2 17.96 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.752 1.221 . . . . 0.0 112.929 174.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -72.31 43.07 0.1 Allowed 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 126.392 1.877 . . . . 0.0 113.681 172.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -59.63 175.58 0.34 Allowed 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 125.185 1.394 . . . . 0.0 112.728 169.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 4.1 m -46.71 149.26 0.85 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.876 1.27 . . . . 0.0 113.742 172.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -49.92 99.67 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 126.293 1.837 . . . . 0.0 113.297 -176.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 47.9 t -167.96 -46.94 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.524 1.53 . . . . 0.0 111.835 -174.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -64.36 107.44 1.34 Allowed 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.374 1.47 . . . . 0.0 111.047 178.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.503 0 C-N-CA 125.721 1.609 . . . . 0.0 112.389 -170.934 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 N--CA 1.47 0.539 0 CA-C-O 121.036 0.446 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.05 170.03 36.07 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 125.569 1.556 . . . . 0.0 112.149 175.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -147.12 107.17 4.0 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.567 1.147 . . . . 0.0 110.119 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.3 p -92.37 140.99 29.03 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.641 1.176 . . . . 0.0 110.336 176.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 84.5 p -66.35 162.62 19.91 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.642 -0.661 . . . . 0.0 111.894 173.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -125.21 -53.44 1.61 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.005 0.922 . . . . 0.0 112.028 175.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 56.83 132.65 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 127.586 2.355 . . . . 0.0 115.139 -172.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -162.67 171.71 16.46 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 125.322 1.449 . . . . 0.0 111.492 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.3 p -80.26 170.4 16.46 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.944 1.298 . . . . 0.0 112.292 166.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 45.17 65.82 1.03 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 126.365 1.866 . . . . 0.0 114.846 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 86.3 p -75.44 -32.54 60.71 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.221 -0.924 . . . . 0.0 113.292 174.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -160.83 46.45 0.21 Allowed 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 124.311 1.044 . . . . 0.0 113.691 -171.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.38 40.17 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 126.61 1.964 . . . . 0.0 115.594 -176.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -162.66 -34.65 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 127.909 2.483 . . . . 0.0 113.216 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 t -145.76 41.07 1.2 Allowed 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 122.772 1.273 . . . . 0.0 112.142 -175.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 6.3 p90 -51.44 -27.23 9.69 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 124.352 1.061 . . . . 0.0 113.622 174.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 59.0 m -57.72 -27.48 62.99 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.265 1.426 . . . . 0.0 114.656 -178.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 79.9 p -100.84 -32.2 10.79 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.695 0.798 . . . . 0.0 112.535 171.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.25 -43.6 97.55 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.724 1.147 . . . . 0.0 112.739 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.507 ' CZ ' ' HA3' ' A' ' 101' ' ' GLY . 0.1 OUTLIER -62.69 -48.71 78.12 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 172.015 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.95 -24.68 67.59 Favored 'General case' 0 CA--C 1.549 0.919 0 O-C-N 121.208 -0.932 . . . . 0.0 113.026 -177.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 24.6 tt0 -71.96 -44.19 63.95 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.339 1.456 . . . . 0.0 111.979 170.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -69.26 -30.6 68.76 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.243 -0.911 . . . . 0.0 112.813 173.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.419 ' HB1' ' HB2' ' A' ' 123' ' ' ALA . . . -56.51 -49.58 74.3 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.221 1.008 . . . . 0.0 111.082 166.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.1 m -56.15 -32.21 64.07 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 174.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -60.19 -35.06 74.53 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 120.161 1.346 . . . . 0.0 112.905 173.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -88.87 -35.91 16.27 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.224 1.01 . . . . 0.0 112.91 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.47 ' CD2' ' HB1' ' A' ' 93' ' ' ALA . 0.5 OUTLIER -62.41 -46.58 87.94 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.153 0.981 . . . . 0.0 111.756 173.712 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.93 -24.52 66.09 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.129 0.972 . . . . 0.0 113.193 175.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -68.26 -19.24 64.71 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.359 1.464 . . . . 0.0 113.0 170.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.27 70.66 1.47 Allowed 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.315 1.446 . . . . 0.0 110.553 -176.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.0 p -50.05 -23.05 1.85 Allowed 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 124.95 1.3 . . . . 0.0 114.281 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -54.99 -19.18 6.23 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 125.694 1.597 . . . . 0.0 114.9 169.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -39.91 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 O-C-N 120.659 -1.276 . . . . 0.0 112.413 167.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.4 t -68.88 -35.04 76.41 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.551 0.74 . . . . 0.0 110.432 176.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -34.66 70.87 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 121.267 -0.896 . . . . 0.0 113.273 171.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -65.43 -48.07 74.05 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 122.876 0.47 . . . . 0.0 111.933 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -34.65 78.94 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 118.49 0.586 . . . . 0.0 111.85 170.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.06 -23.31 65.36 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 120.807 -1.183 . . . . 0.0 113.76 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.86 -1.96 41.41 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.264 1.426 . . . . 0.0 114.025 171.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 65.7 t -136.81 94.51 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 126.822 2.049 . . . . 0.0 110.67 -168.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 t -102.29 38.13 1.74 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.019 1.328 . . . . 0.0 112.742 -173.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.42 140.28 26.19 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.598 1.559 . . . . 0.0 111.624 -176.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.34 -52.55 64.77 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.532 1.133 . . . . 0.0 113.339 -177.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.1 m -72.09 -26.44 62.15 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.206 1.002 . . . . 0.0 113.063 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.61 -34.58 60.59 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.017 -1.052 . . . . 0.0 111.917 172.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.94 -38.53 88.86 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 119.381 0.992 . . . . 0.0 111.306 172.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.6 p -66.86 -36.1 81.54 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.722 -0.611 . . . . 0.0 112.444 170.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 32.1 t -64.64 -40.01 94.71 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.228 1.011 . . . . 0.0 113.021 170.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.5 tt -56.95 -51.55 68.74 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.244 0.929 . . . . 0.0 109.375 169.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.11 -30.96 66.7 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 175.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -66.41 -54.69 21.38 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 120.887 -1.133 . . . . 0.0 111.862 171.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -71.18 -46.01 62.25 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.392 1.477 . . . . 0.0 112.4 -172.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 39.3 mm -71.41 -39.79 71.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 124.948 1.299 . . . . 0.0 110.644 174.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.38 -37.35 81.14 Favored Glycine 0 CA--C 1.53 0.974 0 CA-C-N 119.724 1.147 . . . . 0.0 112.455 175.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.37 -51.39 68.5 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.694 0.797 . . . . 0.0 111.95 170.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.9 t -69.23 -36.36 77.11 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.537 1.135 . . . . 0.0 113.156 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.31 -49.5 66.82 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.921 1.288 . . . . 0.0 111.402 178.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.79 91.37 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.148 0.579 . . . . 0.0 111.651 173.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -56.76 -44.37 81.72 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.813 0.845 . . . . 0.0 112.402 172.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 22.9 t -60.33 -35.1 74.86 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.329 1.452 . . . . 0.0 112.604 178.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.417 HD21 ' HA ' ' A' ' 122' ' ' PHE . 4.5 mm? -85.7 -10.52 55.52 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 124.835 1.254 . . . . 0.0 113.439 173.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.02 8.22 87.67 Favored Glycine 0 CA--C 1.543 1.808 0 C-N-CA 125.609 1.576 . . . . 0.0 114.6 -174.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 46.8 mm -70.24 109.27 2.68 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 126.716 2.006 . . . . 0.0 109.649 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.14 -10.78 53.72 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 m -68.31 8.37 0.46 Allowed 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 125.657 1.583 . . . . 0.0 113.485 170.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -39.47 -58.38 1.27 Allowed 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 121.063 1.756 . . . . 0.0 114.372 176.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.5 t -65.59 -40.85 93.15 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 177.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -70.9 -43.81 67.57 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.94 0.896 . . . . 0.0 112.548 -177.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.9 tp -64.86 -48.14 75.36 Favored 'General case' 0 C--O 1.216 -0.689 0 C-N-CA 125.809 1.643 . . . . 0.0 110.407 171.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.38 -41.68 72.97 Favored 'General case' 0 CA--C 1.55 0.944 0 CA-C-N 120.557 1.526 . . . . 0.0 111.792 176.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -69.69 -1.21 29.54 Favored Glycine 0 CA--C 1.542 1.724 0 C-N-CA 126.406 1.955 . . . . 0.0 116.308 171.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -121.6 -27.55 4.72 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 126.282 1.833 . . . . 0.0 112.417 175.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.529 HD11 ' HA ' ' A' ' 96' ' ' ILE . 14.5 tp -74.28 -41.01 61.92 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 127.049 2.14 . . . . 0.0 110.4 176.333 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.66 -21.21 66.68 Favored 'General case' 0 CA--C 1.548 0.891 0 N-CA-C 113.183 0.809 . . . . 0.0 113.183 169.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -81.02 -39.15 26.3 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 120.863 -1.148 . . . . 0.0 111.602 172.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.36 -57.88 9.69 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 118.802 0.728 . . . . 0.0 111.344 169.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 56.4 t -67.69 -39.82 82.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 125.97 1.708 . . . . 0.0 112.467 -177.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -67.29 -27.29 73.48 Favored Glycine 0 CA--C 1.535 1.309 0 O-C-N 121.243 -0.911 . . . . 0.0 113.255 175.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -78.04 -3.72 85.15 Favored Glycine 0 CA--C 1.54 1.634 0 C-N-CA 124.968 1.27 . . . . 0.0 114.395 169.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.2 p -143.08 49.89 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 C-N-CA 125.932 1.693 . . . . 0.0 110.364 179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -102.82 124.68 8.24 Favored Glycine 0 CA--C 1.534 1.251 0 O-C-N 120.546 -1.346 . . . . 0.0 111.932 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 52.47 97.76 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 127.524 2.33 . . . . 0.0 115.134 -174.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 153.08 -27.64 0.8 Allowed Glycine 0 N--CA 1.471 0.978 0 C-N-CA 124.176 0.894 . . . . 0.0 113.897 172.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.99 -80.38 0.29 Allowed 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 118.356 -0.83 . . . . 0.0 111.441 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.7 t 153.66 162.46 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 129.342 3.057 . . . . 0.0 110.745 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -47.45 -27.87 1.91 Allowed 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 117.409 -1.282 . . . . 0.0 113.57 163.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 38.3 m -59.19 -55.84 29.77 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 120.889 1.677 . . . . 0.0 111.834 169.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -65.62 -36.32 83.37 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.398 -0.814 . . . . 0.0 112.397 176.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.9 m-30 -66.16 -53.0 42.89 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 119.328 0.967 . . . . 0.0 109.918 178.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.47 ' HB1' ' CD2' ' A' ' 30' ' ' LEU . . . -56.17 -48.36 76.49 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 125.262 1.425 . . . . 0.0 113.058 174.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.48 -49.92 73.46 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-O 118.056 -0.974 . . . . 0.0 110.231 178.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.99 -36.12 82.94 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 120.087 1.312 . . . . 0.0 112.89 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.529 ' HA ' HD11 ' A' ' 76' ' ' LEU . 36.7 mt -63.29 -54.07 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 C-N-CA 125.078 1.351 . . . . 0.0 109.939 175.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -60.73 -52.41 65.23 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 123.024 0.529 . . . . 0.0 110.946 175.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 18.3 mtt-85 -48.0 -54.59 12.42 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.519 1.528 . . . . 0.0 111.338 175.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.42 -35.81 82.06 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-N 119.468 1.031 . . . . 0.0 113.373 177.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.98 -54.64 36.25 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.089 0.956 . . . . 0.0 111.209 173.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.507 ' HA3' ' CZ ' ' A' ' 22' ' ' PHE . . . -85.49 -18.66 59.92 Favored Glycine 0 CA--C 1.536 1.387 0 CA-C-O 118.307 -1.274 . . . . 0.0 115.322 -179.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -53.93 -44.63 70.78 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 120.401 2.101 . . . . 0.0 110.171 163.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -65.01 -42.3 94.58 Favored 'General case' 0 CA--C 1.536 0.424 0 O-C-N 122.105 -0.372 . . . . 0.0 111.859 175.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 66.9 mt -62.75 -39.04 92.92 Favored 'General case' 0 CA--C 1.538 0.485 0 O-C-N 121.593 -0.692 . . . . 0.0 112.716 178.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.15 -35.01 78.79 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.893 1.277 . . . . 0.0 112.805 172.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 1.3 m -69.25 -44.3 72.23 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 125.002 1.321 . . . . 0.0 112.373 174.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -74.69 -41.5 60.13 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.07 0.948 . . . . 0.0 113.036 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 116.18 4.99 17.77 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.554 1.073 . . . . 0.0 114.814 -176.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.66 -37.3 79.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 CA-C-N 118.549 1.175 . . . . 0.0 110.837 168.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.89 117.95 30.99 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.35 1.06 . . . . 0.0 109.833 -177.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -129.4 28.53 5.2 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.807 1.643 . . . . 0.0 112.263 -169.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 56.74 26.74 11.76 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 116.072 1.879 . . . . 0.0 116.072 177.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -147.58 -42.45 0.04 OUTLIER Glycine 0 N--CA 1.476 1.306 0 C-N-CA 124.784 1.183 . . . . 0.0 113.358 -179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -92.82 8.88 37.6 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.536 1.134 . . . . 0.0 112.706 165.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.92 -56.8 17.26 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.081 0.855 . . . . 0.0 111.245 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 42.4 m -62.38 -35.53 79.47 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 177.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.74 -54.21 30.32 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.822 0.849 . . . . 0.0 111.564 178.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.23 -31.78 70.58 Favored 'General case' 0 C--O 1.219 -0.516 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.515 178.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -67.05 -47.97 69.72 Favored 'General case' 0 C--O 1.224 -0.243 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 175.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.37 -46.0 64.77 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.346 -1.102 . . . . 0.0 110.346 171.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 39.8 m -64.6 -42.46 95.55 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 114.502 1.297 . . . . 0.0 114.502 172.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.417 ' HA ' HD21 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -67.05 -43.25 83.17 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 121.635 2.016 . . . . 0.0 111.141 -179.612 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.419 ' HB2' ' HB1' ' A' ' 26' ' ' ALA . . . -60.89 -58.49 8.21 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 125.32 1.448 . . . . 0.0 111.181 173.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.08 -34.02 67.88 Favored 'General case' 0 C--O 1.21 -1.025 0 CA-C-O 116.952 -1.499 . . . . 0.0 111.693 174.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.95 -39.82 63.49 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 121.302 1.864 . . . . 0.0 112.639 179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.0 tt -68.1 -41.52 81.68 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 119.742 1.155 . . . . 0.0 110.006 174.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 68.2 m -60.5 -52.05 66.83 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.264 1.026 . . . . 0.0 113.32 169.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -66.62 -40.98 89.05 Favored 'General case' 0 C--O 1.221 -0.418 0 C-N-CA 126.005 1.722 . . . . 0.0 110.883 -177.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 56.7 m -64.33 -42.32 96.35 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 117.914 -1.041 . . . . 0.0 110.986 170.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -64.73 -45.1 87.93 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 120.982 1.719 . . . . 0.0 113.719 177.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.05 -29.54 60.77 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 121.193 -0.942 . . . . 0.0 112.773 176.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 67.8 m -79.06 -17.03 55.95 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 121.085 -1.009 . . . . 0.0 113.256 168.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -65.6 -23.02 66.73 Favored 'General case' 0 C--O 1.22 -0.496 0 O-C-N 120.258 -1.526 . . . . 0.0 110.908 169.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.6 t -54.03 -38.09 64.79 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 120.81 1.641 . . . . 0.0 112.478 163.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -67.57 -28.7 68.0 Favored 'General case' 0 CA--C 1.545 0.78 0 O-C-N 120.061 -1.65 . . . . 0.0 113.985 172.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -96.02 -18.98 19.82 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -178.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -106.83 -34.4 7.26 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 127.751 2.42 . . . . 0.0 111.649 -178.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.52 30.9 5.02 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 126.096 1.758 . . . . 0.0 110.567 174.178 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -57.58 -7.44 0.65 Allowed 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.069 -1.019 . . . . 0.0 113.219 174.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -44.59 -26.95 0.42 Allowed 'General case' 0 CA--C 1.553 1.088 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 170.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 39.3 p90 -97.43 -43.58 7.22 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 119.608 1.095 . . . . 0.0 113.284 170.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -25.79 66.28 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.232 1.013 . . . . 0.0 112.644 -178.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -67.9 -33.48 74.79 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.277 1.431 . . . . 0.0 112.87 176.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -75.58 33.66 0.11 Allowed 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.43 1.492 . . . . 0.0 113.09 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 8.3 t -158.34 -44.99 0.06 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.932 2.093 . . . . 0.0 110.939 175.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -96.4 -31.16 12.98 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -179.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -91.18 -33.58 15.35 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.003 1.321 . . . . 0.0 111.537 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -59.7 -35.0 73.62 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.454 0.701 . . . . 0.0 112.849 171.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -81.61 -23.71 36.87 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.866 1.266 . . . . 0.0 112.603 175.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -87.53 8.09 26.58 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 125.009 1.324 . . . . 0.0 113.445 172.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -66.59 21.55 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.268 0 C-N-CA 126.348 1.859 . . . . 0.0 114.798 175.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -95.96 8.65 43.08 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 127.645 2.378 . . . . 0.0 112.811 175.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -115.07 21.88 13.86 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.474 1.909 . . . . 0.0 112.833 -173.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 36.6 m -23.59 88.23 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 130.083 3.353 . . . . 0.0 116.161 -172.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -96.29 49.08 1.11 Allowed 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.744 1.617 . . . . 0.0 111.225 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -99.69 32.56 2.81 Favored 'General case' 0 CA--C 1.552 1.031 0 C-N-CA 126.583 1.953 . . . . 0.0 111.542 174.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 3.2 pm0 -55.29 167.09 0.49 Allowed 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.732 1.613 . . . . 0.0 113.414 172.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.02 -31.94 7.2 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.007 1.114 . . . . 0.0 114.007 -175.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -67.07 -71.46 0.2 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.13 0.972 . . . . 0.0 112.991 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 16.2 t -173.81 160.84 3.71 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.833 2.053 . . . . 0.0 110.644 173.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 -159.12 116.43 2.74 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.492 1.917 . . . . 0.0 109.965 175.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.332 0 C-N-CA 126.208 1.803 . . . . 0.0 112.323 179.039 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 N--CA 1.476 0.846 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.23 18.72 2.3 Favored Glycine 0 CA--C 1.541 1.71 0 C-N-CA 125.305 1.431 . . . . 0.0 114.534 -176.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.31 120.07 8.1 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.338 1.055 . . . . 0.0 111.608 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.2 t -159.84 47.43 0.27 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.632 1.173 . . . . 0.0 112.765 -176.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 55.2 m -140.06 133.83 30.52 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 124.734 1.213 . . . . 0.0 112.735 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -154.73 -46.4 0.09 Allowed 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.307 1.443 . . . . 0.0 113.103 169.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 52.97 99.3 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 127.187 2.195 . . . . 0.0 115.603 -172.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -114.78 90.91 3.45 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 125.167 1.387 . . . . 0.0 111.916 -174.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.7 t -155.62 163.28 40.14 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.175 1.39 . . . . 0.0 111.91 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -152.88 162.62 41.07 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.647 1.579 . . . . 0.0 111.731 170.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.5 m 54.21 12.8 0.52 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 126.925 2.09 . . . . 0.0 115.292 -175.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -153.97 8.55 0.36 Allowed 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.261 1.424 . . . . 0.0 114.029 -171.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 15.2 m -69.89 48.35 0.09 Allowed 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 175.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.06 151.03 7.33 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 120.331 -1.481 . . . . 0.0 111.952 178.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 58.0 m 55.78 34.16 22.87 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 -163.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -56.3 -22.14 28.56 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 175.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.8 p -58.49 -38.77 78.35 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.495 1.043 . . . . 0.0 112.675 -175.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 74.3 m -87.18 -36.38 18.05 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.948 0.899 . . . . 0.0 113.311 171.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.17 -34.7 79.0 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.532 1.06 . . . . 0.0 112.925 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -54.56 -57.73 10.27 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.602 1.161 . . . . 0.0 110.161 163.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.36 -18.24 63.46 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -177.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -79.48 -42.61 24.9 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.467 1.507 . . . . 0.0 112.996 169.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.59 -19.61 60.25 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.429 1.092 . . . . 0.0 113.848 174.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.49 -46.2 76.96 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 120.275 -1.516 . . . . 0.0 111.29 164.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.27 -28.42 53.28 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.117 1.367 . . . . 0.0 114.554 173.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.9 m -59.56 -31.28 69.29 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.57 1.077 . . . . 0.0 113.625 175.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.64 -29.3 10.2 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.155 0.982 . . . . 0.0 113.069 178.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.644 HD23 ' HB1' ' A' ' 123' ' ' ALA . 0.2 OUTLIER -61.33 -43.7 98.43 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.014 1.326 . . . . 0.0 113.319 170.295 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.42 -25.12 66.61 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.589 0.959 . . . . 0.0 113.589 172.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.91 -16.74 62.69 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 125.777 1.631 . . . . 0.0 113.596 170.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.8 m -126.21 69.99 1.23 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 126.005 1.722 . . . . 0.0 112.08 -172.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.6 t -52.89 -25.12 10.71 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 -178.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.92 -16.13 16.2 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 170.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.603 HG21 HD13 ' A' ' 30' ' ' LEU . 0.8 OUTLIER -61.46 -34.44 61.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-N 120.546 1.521 . . . . 0.0 112.26 166.072 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.1 m -67.65 -33.33 74.74 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 120.743 -1.223 . . . . 0.0 111.232 173.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 14.6 ttt180 -66.36 -24.67 66.54 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 120.652 -1.28 . . . . 0.0 113.207 171.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.418 ' HB2' ' HB1' ' A' ' 130' ' ' ALA . . . -58.78 -51.62 69.2 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.718 0.807 . . . . 0.0 112.252 172.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.579 ' HE2' ' HB2' ' A' ' 89' ' ' ALA . 3.8 p90 -71.84 -35.28 69.83 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 118.778 0.717 . . . . 0.0 112.799 173.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.91 -25.93 68.55 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 119.502 1.046 . . . . 0.0 112.829 -178.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.3 t -62.04 -22.17 65.52 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 125.719 1.608 . . . . 0.0 114.199 169.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.3 p -143.15 91.42 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 125.302 1.441 . . . . 0.0 112.523 -168.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 t -80.33 38.58 0.43 Allowed 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 125.976 1.71 . . . . 0.0 114.397 -176.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.4 m -145.67 128.93 16.75 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.787 1.635 . . . . 0.0 111.727 -175.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.45 -47.03 87.04 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.471 1.108 . . . . 0.0 113.797 -177.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.7 m -66.09 -37.19 85.16 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.789 0.836 . . . . 0.0 112.51 179.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.07 -25.58 47.73 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 176.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.67 -33.26 75.47 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 120.906 -1.121 . . . . 0.0 111.997 165.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -43.87 87.51 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.143 -0.973 . . . . 0.0 111.769 165.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 26.4 m -63.05 -38.43 91.16 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 172.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.1 tp -57.97 -52.73 64.29 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.468 1.031 . . . . 0.0 110.945 171.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.61 -38.4 84.57 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 119.298 0.954 . . . . 0.0 112.958 176.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.8 t80 -57.79 -48.56 79.35 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 119.26 0.937 . . . . 0.0 111.598 169.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.73 -54.61 32.68 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.376 1.07 . . . . 0.0 112.864 -178.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.6 mm -78.09 -32.59 17.36 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 124.022 0.929 . . . . 0.0 111.158 -176.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.38 -37.38 94.73 Favored Glycine 0 N--CA 1.469 0.882 0 C-N-CA 124.133 0.873 . . . . 0.0 113.884 175.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.0 tp -55.14 -47.39 75.15 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.372 0.669 . . . . 0.0 111.149 170.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.2 t -73.67 -34.57 64.97 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 124.766 1.226 . . . . 0.0 113.972 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.27 -53.19 52.96 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 119.095 0.862 . . . . 0.0 112.2 176.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.89 -49.12 74.29 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 124.544 1.138 . . . . 0.0 110.381 171.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -59.03 -41.68 88.36 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.957 1.253 . . . . 0.0 114.026 175.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 36.1 t -62.03 -36.76 82.56 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.167 1.387 . . . . 0.0 112.533 176.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.45 -9.25 59.76 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.675 1.19 . . . . 0.0 113.893 171.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.89 10.27 72.61 Favored Glycine 0 CA--C 1.534 1.231 0 C-N-CA 125.796 1.665 . . . . 0.0 114.826 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.5 mm -84.78 107.5 15.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 125.572 1.549 . . . . 0.0 110.291 -173.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.0 -8.86 17.7 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 178.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.6 p -68.26 -0.41 4.71 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.676 1.362 . . . . 0.0 114.676 169.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -31.62 -56.22 0.27 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 126.791 2.036 . . . . 0.0 114.49 177.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 7.3 t -60.44 -43.72 96.54 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 126.745 2.018 . . . . 0.0 114.41 175.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.57 -44.96 63.56 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.167 1.387 . . . . 0.0 111.791 178.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.3 tp -64.7 -43.22 94.18 Favored 'General case' 0 C--O 1.222 -0.343 0 C-N-CA 124.291 1.036 . . . . 0.0 111.129 175.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.06 -28.45 62.58 Favored 'General case' 0 CA--C 1.55 0.967 0 CA-C-N 120.288 1.404 . . . . 0.0 113.094 174.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -83.55 3.34 85.37 Favored Glycine 0 CA--C 1.542 1.742 0 C-N-CA 125.921 1.724 . . . . 0.0 116.084 171.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.51 -28.78 3.0 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.124 1.769 . . . . 0.0 112.995 177.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.675 HD12 ' HB3' ' A' ' 99' ' ' ALA . 12.0 tp -69.54 -41.52 75.84 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 126.734 2.013 . . . . 0.0 111.207 173.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.57 -37.16 70.18 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.475 1.11 . . . . 0.0 113.184 168.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -70.61 -24.34 62.72 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 174.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -82.94 -54.73 4.85 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.264 -0.897 . . . . 0.0 111.933 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.74 -33.98 67.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 O-C-N 121.233 -0.917 . . . . 0.0 112.066 174.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -82.24 -22.11 59.5 Favored Glycine 0 CA--C 1.533 1.204 0 C-N-CA 124.001 0.81 . . . . 0.0 114.248 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.7 -25.94 72.95 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 123.856 0.741 . . . . 0.0 113.511 171.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.8 t -134.76 31.3 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 125.647 1.579 . . . . 0.0 111.32 178.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -69.91 137.93 29.12 Favored Glycine 0 CA--C 1.534 1.246 0 O-C-N 120.804 -1.185 . . . . 0.0 111.619 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . 43.05 77.31 0.06 Allowed 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 126.402 1.881 . . . . 0.0 115.3 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -172.45 -33.45 0.03 OUTLIER Glycine 0 CA--C 1.534 1.222 0 N-CA-C 115.4 0.92 . . . . 0.0 115.4 173.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -98.31 -70.38 0.73 Allowed 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 118.696 1.248 . . . . 0.0 111.756 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.0 t 157.19 179.48 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 129.586 3.154 . . . . 0.0 110.667 -177.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.579 ' HB2' ' HE2' ' A' ' 40' ' ' PHE . . . -40.45 -36.49 0.57 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 127.483 2.313 . . . . 0.0 113.964 161.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.3 t -53.46 -55.24 26.92 Favored 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 124.32 1.048 . . . . 0.0 111.469 173.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.7 -43.08 94.62 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 119.371 0.987 . . . . 0.0 112.548 176.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -62.75 -50.03 72.67 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 119.558 1.072 . . . . 0.0 110.238 -178.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.44 -47.3 86.7 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.729 1.212 . . . . 0.0 113.528 174.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -64.4 -42.31 96.16 Favored 'General case' 0 C--O 1.223 -0.292 0 CA-C-N 118.782 0.719 . . . . 0.0 111.363 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.61 -41.88 75.11 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.431 1.092 . . . . 0.0 112.225 177.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 42.4 mt -58.8 -51.08 76.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 124.088 0.955 . . . . 0.0 110.612 171.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -65.16 -35.36 80.86 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.964 0.905 . . . . 0.0 113.011 177.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -62.69 -52.85 61.67 Favored 'General case' 0 C--O 1.217 -0.636 0 CA-C-O 117.373 -1.299 . . . . 0.0 111.643 171.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.675 ' HB3' HD12 ' A' ' 76' ' ' LEU . . . -68.94 -37.44 78.87 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 121.002 1.728 . . . . 0.0 113.274 -179.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -51.78 -57.92 7.92 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.525 0.73 . . . . 0.0 110.215 164.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -55.08 -43.45 83.34 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 125.047 1.308 . . . . 0.0 113.073 176.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -56.98 -41.87 79.19 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.748 1.774 . . . . 0.0 112.136 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -67.63 -48.89 65.45 Favored 'General case' 0 C--N 1.34 0.193 0 CA-C-N 118.674 0.67 . . . . 0.0 111.623 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 38.9 mt -66.18 -37.14 84.91 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 120.915 -1.116 . . . . 0.0 112.17 -176.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.27 -6.21 2.98 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 128.512 2.725 . . . . 0.0 115.104 172.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -63.01 -10.88 15.54 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.259 -0.901 . . . . 0.0 113.429 162.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 87.56 8.66 0.18 Allowed 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 129.465 3.106 . . . . 0.0 112.299 -178.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -78.68 -18.78 74.8 Favored Glycine 0 N--CA 1.47 0.961 0 C-N-CA 124.767 1.175 . . . . 0.0 114.623 -178.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.2 t -142.8 -37.78 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 125.57 1.548 . . . . 0.0 110.714 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.76 136.48 32.94 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 125.826 1.651 . . . . 0.0 111.392 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -139.7 36.59 2.0 Favored 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 124.328 1.051 . . . . 0.0 113.318 -170.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . 52.91 32.19 12.14 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 116.305 1.965 . . . . 0.0 116.305 176.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -161.21 -37.06 0.02 OUTLIER Glycine 0 N--CA 1.482 1.731 0 CA-C-N 116.538 -0.301 . . . . 0.0 113.771 175.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -86.71 14.46 7.02 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 121.238 -1.154 . . . . 0.0 113.687 167.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.24 -53.35 59.12 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.657 1.183 . . . . 0.0 112.442 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 44.5 p -69.19 -36.78 77.66 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.434 0.901 . . . . 0.0 113.434 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.7 -54.07 49.68 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.006 0.922 . . . . 0.0 111.784 175.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.7 mp -66.83 -32.73 74.2 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-O 117.875 -1.06 . . . . 0.0 112.34 175.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.17 -51.11 69.15 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 119.98 1.264 . . . . 0.0 113.449 175.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -53.35 -48.49 59.68 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 173.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 75.7 m -64.21 -44.37 92.13 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 177.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -67.17 -47.8 69.89 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 120.143 1.338 . . . . 0.0 111.059 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.644 ' HB1' HD23 ' A' ' 30' ' ' LEU . . . -62.77 -45.82 90.92 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 124.715 1.206 . . . . 0.0 110.598 177.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.54 -23.81 61.83 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 114.251 1.204 . . . . 0.0 114.251 175.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -70.24 -38.27 75.14 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 120.513 1.506 . . . . 0.0 111.066 169.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.3 -44.03 89.23 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 118.945 -0.55 . . . . 0.0 111.504 170.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.8 p -63.91 -38.06 89.69 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-O 118.167 -0.921 . . . . 0.0 113.165 172.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -70.03 -44.01 70.11 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.481 1.512 . . . . 0.0 112.252 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 41.4 t -63.42 -47.22 82.85 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 121.858 -0.526 . . . . 0.0 110.452 171.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.418 ' HB1' ' HB2' ' A' ' 39' ' ' ALA . . . -60.67 -38.3 84.46 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 175.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -57.23 -45.73 83.62 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.821 1.649 . . . . 0.0 111.987 174.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 67.1 m -71.67 -43.84 65.32 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.057 0.543 . . . . 0.0 111.568 173.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -66.03 -17.8 64.92 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 120.782 -1.199 . . . . 0.0 113.536 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 39.7 m -57.56 -21.46 38.68 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 120.575 1.534 . . . . 0.0 113.653 164.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -80.55 -34.0 35.79 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 119.688 1.131 . . . . 0.0 113.182 169.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -88.99 -38.8 14.16 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.732 1.213 . . . . 0.0 113.576 -174.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -86.63 -25.41 24.9 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.753 2.021 . . . . 0.0 112.214 178.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.57 33.71 5.32 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 125.444 1.498 . . . . 0.0 111.55 175.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -1.99 0.31 Allowed 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 170.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -50.03 -33.03 16.88 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 120.49 -1.381 . . . . 0.0 112.922 166.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -67.09 -20.9 65.88 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 173.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -72.98 -43.67 61.96 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.514 1.126 . . . . 0.0 111.663 174.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -85.4 -7.86 58.72 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.955 1.302 . . . . 0.0 113.889 177.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.33 -171.88 0.04 OUTLIER 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.338 1.455 . . . . 0.0 113.057 171.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' SER . . . . . . . . . . . . . 4.9 t 69.17 -37.69 0.38 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 127.092 2.157 . . . . 0.0 113.832 -168.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ALA . . . . . . . . . . . . . . . -99.35 -40.97 7.64 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.502 1.121 . . . . 0.0 112.623 170.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -70.43 -45.48 65.77 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 176.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -63.79 -33.02 74.73 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 121.297 -0.877 . . . . 0.0 112.708 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -67.9 -30.83 70.26 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.479 1.112 . . . . 0.0 113.466 173.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ALA . . . . . . . . . . . . . . . -65.08 -23.99 67.32 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 121.082 -1.011 . . . . 0.0 113.386 173.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ALA . . . . . . . . . . . . . . . -106.01 10.57 32.2 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 125.602 1.561 . . . . 0.0 113.455 177.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . -69.02 5.92 1.05 Allowed 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 177.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -65.89 14.27 0.04 OUTLIER 'General case' 0 CA--C 1.555 1.169 0 N-CA-C 115.448 1.647 . . . . 0.0 115.448 173.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 23.0 t -127.62 160.69 30.83 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 126.76 2.024 . . . . 0.0 111.894 -174.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -91.79 11.07 25.93 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 125.336 1.454 . . . . 0.0 113.553 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ALA . . . . . . . . . . . . . . . -79.82 29.27 0.26 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 126.108 1.763 . . . . 0.0 114.312 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -56.09 135.6 52.79 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 120.828 -1.17 . . . . 0.0 112.604 -178.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.08 70.49 0.83 Allowed 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 125.394 1.477 . . . . 0.0 110.4 -173.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -140.81 -62.13 0.49 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.833 1.253 . . . . 0.0 111.495 178.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 75.4 m -149.31 69.17 1.05 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.898 1.679 . . . . 0.0 111.043 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' ARG . . . . . . . . . . . . . 6.4 tpt180 -130.82 113.51 14.17 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.906 1.282 . . . . 0.0 110.208 176.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.235 0 C-N-CA 125.626 1.57 . . . . 0.0 111.302 -178.855 . . . . . . . . 0 0 . 1 stop_ save_