data_2k3o_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 2k3o _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 ' 4' ' ' SER . . . . . . . . . . . . . 26.2 p . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 m -65.25 -34.53 78.58 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 173.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.51 -46.11 60.58 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.362 0.665 . . . . 0.0 112.016 176.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -55.1 -48.46 73.54 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.34 1.056 . . . . 0.0 111.086 170.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.0 -28.94 69.85 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 175.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -65.88 -52.05 53.46 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 121.003 1.729 . . . . 0.0 111.797 172.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.49 -44.22 79.03 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.537 -0.727 . . . . 0.0 112.315 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.06 -48.74 77.81 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 123.312 0.645 . . . . 0.0 111.113 172.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.4 t -62.19 -41.16 98.09 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 118.338 -0.839 . . . . 0.0 111.918 176.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.4 t -54.46 -46.82 73.4 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.818 1.19 . . . . 0.0 112.132 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.7 m -75.0 -39.37 61.26 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 174.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.8 mt -68.0 -32.85 73.54 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.94 1.246 . . . . 0.0 112.65 177.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.2 -32.28 64.7 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.155 0.982 . . . . 0.0 113.194 173.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.06 -12.42 59.32 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 118.871 0.76 . . . . 0.0 112.606 172.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.2 t -88.52 83.69 6.8 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.776 1.231 . . . . 0.0 111.95 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.3 m -53.99 -26.75 27.53 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 172.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.66 -36.26 83.15 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.403 1.002 . . . . 0.0 113.217 172.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.3 mm -72.52 -41.19 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.593 0.757 . . . . 0.0 110.367 174.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -59.39 -45.36 91.67 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.46 -0.775 . . . . 0.0 111.344 173.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.58 -38.98 93.2 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 117.872 -1.061 . . . . 0.0 113.624 172.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.4 -49.82 69.02 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 119.984 1.265 . . . . 0.0 112.019 171.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -72.21 -29.35 63.88 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.01 -26.86 39.67 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.486 1.039 . . . . 0.0 113.305 175.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.6 t -65.5 -48.38 72.79 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.762 0.825 . . . . 0.0 112.672 177.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.2 m -66.75 146.39 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 123.447 0.699 . . . . 0.0 112.093 173.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.64 13.78 5.41 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.3 1.04 . . . . 0.0 113.518 -177.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.1 m -140.17 139.13 35.65 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.828 1.651 . . . . 0.0 109.654 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.86 -31.31 69.65 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 178.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.3 m -73.44 -30.49 63.24 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 172.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.27 -40.04 67.93 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.154 -0.966 . . . . 0.0 110.198 171.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.4 -45.81 82.54 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.58 0.752 . . . . 0.0 112.697 174.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.1 p -65.5 -37.09 85.77 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.433 -0.792 . . . . 0.0 111.79 175.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.6 t -68.45 -37.97 80.71 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.507 1.049 . . . . 0.0 113.642 173.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -47.05 87.7 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 120.119 1.327 . . . . 0.0 110.186 169.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.38 -30.41 71.55 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.045 0.938 . . . . 0.0 112.544 177.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -68.85 -53.32 22.01 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.096 0.558 . . . . 0.0 110.866 170.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -59.59 -51.64 68.97 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.395 0.998 . . . . 0.0 112.733 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.3 pp -65.35 -29.31 46.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 118.584 0.629 . . . . 0.0 112.432 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.33 -40.41 55.26 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 124.867 1.223 . . . . 0.0 113.546 175.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 73.1 mt -60.6 -44.43 96.28 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.482 1.641 . . . . 0.0 111.267 171.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.8 m -61.23 -49.07 78.61 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.317 1.047 . . . . 0.0 111.859 175.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.12 -44.84 95.76 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.716 -0.615 . . . . 0.0 112.378 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.08 -41.94 97.57 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.091 1.356 . . . . 0.0 112.271 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.2 mtp85 -66.0 -42.55 89.59 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.598 0.759 . . . . 0.0 112.719 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.7 m -63.5 -34.46 77.82 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 173.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.3 mt -86.32 -14.32 43.95 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.685 1.194 . . . . 0.0 113.686 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.44 22.78 33.36 Favored Glycine 0 CA--C 1.54 1.651 0 C-N-CA 125.141 1.353 . . . . 0.0 116.433 172.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.4 mp -66.62 134.73 29.63 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 C-N-CA 125.487 1.515 . . . . 0.0 111.11 -174.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.92 0.89 22.42 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.3 t -149.99 57.81 0.97 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.537 1.135 . . . . 0.0 110.409 -174.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -52.76 -43.28 65.7 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 120.906 -1.121 . . . . 0.0 112.327 -172.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.3 p -59.46 -30.87 68.82 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.544 1.938 . . . . 0.0 114.122 175.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.05 -42.48 23.64 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.04 0.836 . . . . 0.0 112.421 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.6 tt -66.77 -49.52 65.65 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.568 1.076 . . . . 0.0 110.789 175.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.31 -34.56 75.44 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.321 0.648 . . . . 0.0 112.668 175.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -65.06 -40.61 97.13 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 124.934 1.254 . . . . 0.0 113.361 172.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.77 94.94 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 118.613 1.207 . . . . 0.0 112.198 169.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.8 mt -65.44 -37.03 85.68 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 120.011 1.278 . . . . 0.0 112.679 173.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.85 -49.56 77.0 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.992 0.917 . . . . 0.0 110.766 173.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -65.14 -32.07 73.58 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.49 -51.42 63.07 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.543 1.065 . . . . 0.0 112.183 176.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.7 t -66.84 -42.1 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.137 0.975 . . . . 0.0 111.374 177.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.55 -21.78 65.14 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 123.378 0.513 . . . . 0.0 114.314 171.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.99 -34.67 82.44 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.135 1.35 . . . . 0.0 114.239 177.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.4 t -84.42 -37.07 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 117.874 0.837 . . . . 0.0 110.662 168.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.08 172.19 30.05 Favored Glycine 0 CA--C 1.542 1.725 0 C-N-CA 123.718 0.675 . . . . 0.0 113.852 -174.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.06 156.19 18.56 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 -176.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.61 51.23 8.37 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 123.944 0.783 . . . . 0.0 113.408 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -137.65 164.16 29.49 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.901 1.281 . . . . 0.0 113.378 -176.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.0 t -62.08 146.26 50.89 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.268 1.027 . . . . 0.0 112.814 177.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.23 -32.67 62.47 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 167.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.3 t -65.33 -38.83 91.35 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.54 0.609 . . . . 0.0 112.437 174.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.17 -48.38 73.68 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.362 -0.836 . . . . 0.0 112.082 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -66.3 -43.63 85.74 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.737 -0.602 . . . . 0.0 112.049 175.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.69 98.21 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.588 0.755 . . . . 0.0 112.37 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -65.5 -41.93 92.67 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 118.583 -0.722 . . . . 0.0 111.3 174.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.38 86.15 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.385 0.993 . . . . 0.0 112.381 175.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 68.7 mt -60.24 -49.11 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 123.502 0.721 . . . . 0.0 110.811 174.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.04 -28.31 67.29 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.505 -0.759 . . . . 0.0 112.672 -178.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.56 -35.22 60.69 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 120.21 1.368 . . . . 0.0 112.291 170.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.83 -47.49 25.42 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.098 0.863 . . . . 0.0 112.819 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.54 -47.56 69.89 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.071 0.549 . . . . 0.0 110.329 161.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -51.76 -49.44 47.41 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 124.208 0.909 . . . . 0.0 113.809 177.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -59.3 -43.98 92.56 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.558 1.179 . . . . 0.0 111.711 173.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -66.16 -46.21 78.22 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 118.83 0.741 . . . . 0.0 112.848 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.6 mp -69.74 -28.08 65.49 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.942 1.297 . . . . 0.0 111.588 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.3 -47.04 71.79 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.417 1.008 . . . . 0.0 111.873 169.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.2 p -67.13 -25.17 66.05 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.69 1.132 . . . . 0.0 113.203 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -78.45 -11.17 59.94 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.831 1.196 . . . . 0.0 113.852 169.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.76 12.94 71.39 Favored Glycine 0 CA--C 1.537 1.41 0 CA-C-N 119.06 0.845 . . . . 0.0 114.748 -173.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.4 t -65.48 -34.0 67.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.637 1.175 . . . . 0.0 111.317 172.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.3 mt -78.81 121.18 24.47 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.748 -0.595 . . . . 0.0 111.181 173.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 34.4 p30 -150.96 158.97 44.81 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.709 2.004 . . . . 0.0 111.818 -173.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.06 -10.84 24.53 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 120.656 -1.277 . . . . 0.0 114.432 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 36.4 t -56.61 -50.19 74.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.756 1.222 . . . . 0.0 111.673 171.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -174.91 36.31 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -177.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -49.66 -32.87 14.12 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.578 -1.326 . . . . 0.0 114.145 173.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.4 t -59.72 -66.31 0.54 Allowed 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 122.768 0.427 . . . . 0.0 111.556 168.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.3 m -58.57 -27.99 65.13 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -176.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.4 -21.95 66.8 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.742 1.156 . . . . 0.0 113.469 172.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.95 -43.32 93.88 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 124.26 0.933 . . . . 0.0 112.651 169.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.4 m -59.63 -41.5 90.6 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 118.152 0.976 . . . . 0.0 111.728 167.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.58 99.24 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.414 1.006 . . . . 0.0 112.686 177.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.89 -47.95 75.98 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.095 0.861 . . . . 0.0 111.289 172.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.08 -33.44 67.29 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.677 1.126 . . . . 0.0 113.123 176.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -67.25 -41.34 85.75 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 119.227 0.921 . . . . 0.0 112.225 171.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.07 87.96 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.116 0.871 . . . . 0.0 112.7 171.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 56.1 mt -62.54 -37.46 86.18 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.534 0.734 . . . . 0.0 111.733 173.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 32.4 t -65.55 -45.09 84.74 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.021 0.928 . . . . 0.0 111.775 176.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -55.16 -46.91 75.77 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.536 0.607 . . . . 0.0 111.062 170.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 59.8 m -62.42 -41.41 98.67 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 176.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -75.19 -34.0 61.48 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.76 1.164 . . . . 0.0 113.167 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.09 -41.77 94.67 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 118.597 0.635 . . . . 0.0 111.223 165.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -58.37 -27.31 64.11 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.47 1.108 . . . . 0.0 113.457 172.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 N--CA 1.48 1.031 0 CA-C-N 121.101 1.773 . . . . 0.0 114.058 171.946 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.8 p . . . . . 0 N--CA 1.47 0.56 0 CA-C-O 119.225 -0.416 . . . . 0.0 112.088 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 m -64.59 -38.15 90.01 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.579 0.751 . . . . 0.0 112.859 174.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.47 -44.9 66.81 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.94 0.791 . . . . 0.0 112.102 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.41 ' CD1' HD21 ' A' ' 95' ' ' LEU . 58.5 t80 -58.37 -50.95 71.84 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.995 0.918 . . . . 0.0 110.691 172.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.59 -28.29 69.78 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 118.09 -0.957 . . . . 0.0 113.249 175.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -66.56 -54.42 23.82 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 121.169 1.804 . . . . 0.0 112.174 172.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.28 -38.53 85.21 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.719 -0.613 . . . . 0.0 111.792 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.77 -52.28 65.78 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 118.441 -0.79 . . . . 0.0 110.985 172.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.2 m -56.02 -41.08 74.39 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.257 0.935 . . . . 0.0 112.473 175.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.3 t -66.47 -50.33 63.66 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.193 0.906 . . . . 0.0 112.115 176.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.6 m -72.2 -15.75 61.95 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 pp -96.42 -28.1 14.6 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.403 1.001 . . . . 0.0 112.468 170.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.7 -30.7 71.72 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.734 1.152 . . . . 0.0 111.817 174.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.1 p -78.45 1.82 20.92 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.812 1.245 . . . . 0.0 113.936 169.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.1 m -109.84 76.17 0.98 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.117 1.767 . . . . 0.0 110.832 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.5 m -52.07 -26.35 10.79 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 176.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.2 -37.57 87.74 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 171.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.3 mt -64.6 -50.94 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.879 0.872 . . . . 0.0 109.449 172.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.0 m -60.42 -41.75 94.59 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -64.88 -42.63 94.65 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 117.724 -1.132 . . . . 0.0 112.711 172.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.6 -37.96 74.11 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 120.212 1.369 . . . . 0.0 112.017 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -75.17 -31.97 61.13 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 173.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.51 -28.65 52.17 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.52 1.055 . . . . 0.0 113.397 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.1 m -67.09 -33.18 74.93 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.447 1.499 . . . . 0.0 113.273 174.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.3 m -86.41 120.57 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 123.744 0.818 . . . . 0.0 111.548 175.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.3 m -124.69 30.27 6.0 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.609 1.564 . . . . 0.0 111.881 -178.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -144.84 137.66 26.49 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 126.985 2.114 . . . . 0.0 109.323 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.0 -35.6 77.27 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.1 m -68.25 -40.51 81.92 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 171.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.66 -44.78 85.3 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.762 0.71 . . . . 0.0 111.101 175.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.6 -38.63 84.28 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.547 1.139 . . . . 0.0 112.295 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 t -52.92 -55.31 24.27 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.888 1.275 . . . . 0.0 110.768 166.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.8 t -63.48 -27.76 69.5 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 176.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.62 -54.91 13.55 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 120.839 -1.163 . . . . 0.0 110.482 174.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.45 -26.72 68.86 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.308 0.643 . . . . 0.0 112.478 173.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -65.27 -52.37 54.71 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 123.58 0.752 . . . . 0.0 110.743 168.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -64.97 -44.83 88.06 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 120.849 1.658 . . . . 0.0 113.019 177.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.6 mt -60.94 -47.3 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 124.033 0.933 . . . . 0.0 110.83 175.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.48 -38.71 95.1 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-O 118.698 -1.057 . . . . 0.0 113.397 176.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.73 -43.01 97.79 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 119.259 1.53 . . . . 0.0 111.747 175.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.8 t -71.93 -34.31 68.94 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.406 1.003 . . . . 0.0 111.905 -179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.78 -50.06 70.51 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.181 -0.949 . . . . 0.0 111.374 167.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.11 -47.79 82.18 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.734 1.214 . . . . 0.0 112.998 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 ptm85 -67.53 -38.67 84.58 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.404 0.682 . . . . 0.0 112.437 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.5 m -68.68 -27.83 66.32 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.987 0.915 . . . . 0.0 113.221 174.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.1 mt -90.18 -2.37 58.05 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.341 1.457 . . . . 0.0 113.375 171.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.69 30.28 76.98 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.406 1.479 . . . . 0.0 115.628 177.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.6 mm -56.6 135.09 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.986 1.315 . . . . 0.0 111.516 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.7 15.87 0.96 Allowed 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -175.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 m -173.26 65.21 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 129.104 2.962 . . . . 0.0 108.569 -176.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -54.59 -39.81 68.21 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.971 -1.081 . . . . 0.0 111.366 -178.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.3 t -54.82 -34.46 62.81 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.496 1.919 . . . . 0.0 114.397 172.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.03 -41.42 35.72 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.061 -1.025 . . . . 0.0 112.172 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.34 -55.82 18.62 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 118.418 0.553 . . . . 0.0 110.022 175.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.73 -38.25 77.98 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.993 1.317 . . . . 0.0 112.89 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.27 -42.47 75.0 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 124.393 0.997 . . . . 0.0 113.19 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.45 -37.93 88.34 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.818 1.309 . . . . 0.0 112.221 172.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.6 mt -64.7 -39.87 94.4 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.215 -0.928 . . . . 0.0 112.688 171.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.13 -43.32 98.71 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.528 1.131 . . . . 0.0 112.407 173.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -61.64 -36.97 82.3 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.891 1.276 . . . . 0.0 112.392 172.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.25 -49.17 70.67 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.538 0.735 . . . . 0.0 112.182 176.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -61.91 -45.67 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 123.624 0.769 . . . . 0.0 112.296 174.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.38 -15.2 51.53 Favored Glycine 0 CA--C 1.54 1.654 0 C-N-CA 123.857 0.741 . . . . 0.0 114.159 172.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -79.17 -32.15 40.17 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.569 1.557 . . . . 0.0 113.76 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.9 t -75.12 -50.41 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 118.511 1.155 . . . . 0.0 111.029 174.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 131.22 -159.6 23.13 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.672 1.129 . . . . 0.0 113.86 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -113.13 144.05 43.31 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.959 1.304 . . . . 0.0 111.469 173.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.44 14.28 82.12 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 124.072 0.844 . . . . 0.0 115.003 -177.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.71 174.72 6.43 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 118.619 1.209 . . . . 0.0 112.57 174.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.3 t -66.12 145.22 56.08 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.065 -1.022 . . . . 0.0 111.639 172.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.05 -43.45 40.84 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.848 0.859 . . . . 0.0 112.432 168.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.6 t -64.28 -29.19 70.29 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 177.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.43 -45.01 61.57 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 120.803 -1.186 . . . . 0.0 112.286 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -60.41 -45.35 93.92 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.253 0.621 . . . . 0.0 111.833 170.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.26 -41.9 98.86 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 123.109 0.564 . . . . 0.0 112.424 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -67.21 -39.51 86.32 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.698 0.681 . . . . 0.0 111.07 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.41 -45.42 84.62 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.36 0.982 . . . . 0.0 112.057 172.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 60.7 mt -72.11 -46.19 59.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 123.637 0.775 . . . . 0.0 111.88 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.52 -37.22 86.81 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.323 0.965 . . . . 0.0 112.096 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -72.47 -42.64 64.72 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 117.451 -1.261 . . . . 0.0 112.252 170.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.96 -45.87 83.91 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 121.185 1.811 . . . . 0.0 112.38 178.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.36 99.01 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.187 0.995 . . . . 0.0 111.98 170.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.91 -45.64 93.61 Favored Glycine 0 CA--C 1.526 0.76 0 C-N-CA 123.704 0.668 . . . . 0.0 113.183 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -62.78 -38.89 92.41 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.145 1.378 . . . . 0.0 111.523 171.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -62.31 -49.17 76.69 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.154 0.888 . . . . 0.0 111.197 173.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.6 mt -68.3 -22.9 64.69 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.507 -1.371 . . . . 0.0 113.375 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.79 -50.95 61.02 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 119.518 1.054 . . . . 0.0 111.521 167.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.2 p -71.15 -29.13 64.84 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -73.68 -9.36 58.59 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 167.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 67.36 19.58 70.7 Favored Glycine 0 CA--C 1.538 1.501 0 O-C-N 121.102 -0.999 . . . . 0.0 114.422 -176.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.2 t -73.75 -27.02 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.974 1.309 . . . . 0.0 111.487 173.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.41 HD21 ' CD1' ' A' ' 7' ' ' PHE . 70.3 mt -75.11 127.23 32.73 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.756 0.707 . . . . 0.0 111.652 169.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -141.58 143.51 33.75 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.365 1.866 . . . . 0.0 108.859 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.48 -15.39 6.82 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 41.6 t -49.34 -45.71 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 126.415 1.886 . . . . 0.0 112.066 167.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -165.81 26.41 0.05 OUTLIER 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -175.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -51.03 -37.8 47.51 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 120.154 -1.591 . . . . 0.0 113.377 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.47 -64.09 1.06 Allowed 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 123.473 0.709 . . . . 0.0 111.063 168.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.2 t -60.03 -29.04 68.24 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -174.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 66.8 mt -62.59 -23.68 67.16 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 120.242 -1.536 . . . . 0.0 113.431 169.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.33 -41.96 99.65 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 124.099 0.857 . . . . 0.0 112.192 168.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.0 t -61.73 -44.25 97.28 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 117.459 0.63 . . . . 0.0 111.431 169.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.86 -46.26 85.06 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.277 0.944 . . . . 0.0 113.483 178.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.75 -44.27 70.55 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.499 -0.75 . . . . 0.0 111.168 175.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.97 -33.62 72.19 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 120.608 -1.307 . . . . 0.0 113.452 175.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -66.84 -39.41 87.62 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.072 0.851 . . . . 0.0 111.432 171.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.46 -53.23 60.65 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.646 0.657 . . . . 0.0 111.23 170.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 57.2 mt -60.85 -31.29 70.74 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.01 0.924 . . . . 0.0 113.154 176.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 32.7 t -68.85 -45.53 70.84 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.292 1.037 . . . . 0.0 111.89 175.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -57.61 -41.94 82.26 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.333 0.515 . . . . 0.0 111.311 167.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.0 m -61.63 -42.32 98.73 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 175.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -71.66 -42.14 67.88 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.315 1.046 . . . . 0.0 112.322 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.42 -39.63 88.1 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.565 0.746 . . . . 0.0 111.74 171.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -69.55 -36.19 76.11 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.823 0.849 . . . . 0.0 113.107 171.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.472 0.66 0 O-C-N 121.035 -1.041 . . . . 0.0 110.737 173.518 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.471 0.625 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -65.26 -35.36 80.8 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.583 0.753 . . . . 0.0 112.049 174.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.5 -43.54 69.48 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.648 0.779 . . . . 0.0 111.513 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -56.87 -48.31 78.42 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.127 0.971 . . . . 0.0 110.832 170.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.18 -33.5 74.64 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 174.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -61.74 -53.22 58.93 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 120.623 1.556 . . . . 0.0 112.265 176.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.46 -41.23 80.53 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.817 0.735 . . . . 0.0 112.07 178.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.61 -51.66 68.86 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 119.281 -0.39 . . . . 0.0 111.326 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.2 m -62.29 -34.09 75.91 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 118.073 -0.965 . . . . 0.0 113.015 173.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 m -58.24 -46.41 86.0 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 120.788 1.631 . . . . 0.0 112.037 171.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.8 t -70.44 -52.14 24.37 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.337 0.517 . . . . 0.0 111.489 174.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.8 mt -61.34 -32.4 72.28 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 120.393 -1.442 . . . . 0.0 113.387 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.53 -25.7 61.48 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.504 1.122 . . . . 0.0 113.656 172.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.97 -20.32 27.46 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.176 0.991 . . . . 0.0 112.389 173.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.8 m -88.86 80.35 7.16 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.301 1.841 . . . . 0.0 111.845 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.8 m -54.39 -26.83 32.56 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 120.766 -1.209 . . . . 0.0 114.018 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.52 -27.98 51.98 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.052 1.131 . . . . 0.0 114.052 172.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 26.3 mm -73.64 -45.29 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.879 1.271 . . . . 0.0 110.574 175.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.8 t -56.61 -44.64 81.36 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 123.159 0.584 . . . . 0.0 111.289 171.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -62.02 -44.36 96.88 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.971 1.308 . . . . 0.0 112.679 176.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.66 95.95 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 118.98 0.809 . . . . 0.0 112.429 174.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -79.05 -22.16 45.76 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 177.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.3 -23.86 27.94 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.815 1.246 . . . . 0.0 112.89 174.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.8 t -56.09 -44.68 79.26 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.098 0.959 . . . . 0.0 111.576 168.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.9 m -83.43 144.98 9.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 123.827 0.851 . . . . 0.0 111.719 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.0 m -124.98 17.53 8.52 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.601 1.56 . . . . 0.0 112.163 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.7 t -138.01 140.16 40.01 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.243 1.417 . . . . 0.0 110.352 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.25 -43.35 98.27 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 122.844 0.457 . . . . 0.0 110.677 -177.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.4 m -60.23 -36.9 78.77 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 172.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.94 -42.32 85.5 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.281 0.946 . . . . 0.0 111.713 175.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.3 -42.8 96.18 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.139 0.575 . . . . 0.0 112.105 172.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.5 m -57.32 -48.53 78.72 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.627 1.171 . . . . 0.0 111.843 173.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.5 m -66.24 -31.44 72.27 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.931 0.893 . . . . 0.0 113.342 175.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mt -65.11 -51.74 59.53 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.715 1.143 . . . . 0.0 110.999 171.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.61 -33.47 68.26 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.345 1.058 . . . . 0.0 112.22 174.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -67.88 -51.32 49.42 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.893 0.877 . . . . 0.0 111.892 172.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -58.96 -52.34 66.18 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.555 1.142 . . . . 0.0 112.572 178.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.7 pt -69.94 -33.4 55.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 O-C-N 121.829 -0.545 . . . . 0.0 111.683 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.33 -41.77 96.45 Favored Glycine 0 CA--C 1.526 0.735 0 C-N-CA 125.13 1.348 . . . . 0.0 112.541 174.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mp -60.03 -41.96 93.35 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.994 1.397 . . . . 0.0 112.329 171.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.3 t -64.05 -50.16 69.5 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.739 0.7 . . . . 0.0 111.754 175.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.5 95.57 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.596 -0.69 . . . . 0.0 112.29 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.32 94.91 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.502 1.121 . . . . 0.0 112.744 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -62.25 -43.57 98.53 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.066 0.946 . . . . 0.0 111.993 171.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.8 m -64.0 -30.01 71.12 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 173.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.4 mt -93.62 5.65 50.91 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.672 1.589 . . . . 0.0 113.232 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.52 29.95 64.49 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 125.653 1.597 . . . . 0.0 115.3 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.3 mm -60.53 136.0 24.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.374 1.469 . . . . 0.0 111.318 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.12 11.57 2.73 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -175.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 m -175.17 68.23 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 129.044 2.938 . . . . 0.0 108.82 -176.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -51.31 -41.79 60.75 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 121.227 -0.92 . . . . 0.0 111.209 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.2 p -60.5 -29.53 69.15 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 127.915 2.486 . . . . 0.0 114.479 177.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.53 -40.94 15.76 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 119.358 0.981 . . . . 0.0 111.803 175.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -57.66 11.86 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.895 0.878 . . . . 0.0 109.721 174.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.17 -27.49 65.57 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.401 1.48 . . . . 0.0 112.987 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -63.87 -42.25 98.48 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 124.187 0.899 . . . . 0.0 112.486 171.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.9 -40.31 95.0 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 117.966 0.883 . . . . 0.0 111.937 170.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.2 mt -66.27 -40.48 90.15 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.82 0.737 . . . . 0.0 112.68 175.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.58 -48.86 79.89 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.218 1.007 . . . . 0.0 111.269 173.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -65.87 -28.81 69.24 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 175.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.77 -48.15 60.3 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.313 0.96 . . . . 0.0 112.123 173.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.6 t -64.71 -49.69 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.821 1.248 . . . . 0.0 112.224 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.46 -19.05 68.4 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 123.772 0.701 . . . . 0.0 113.69 173.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.23 -37.94 87.17 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.482 1.515 . . . . 0.0 113.571 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.3 t -76.4 -48.4 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 117.97 0.885 . . . . 0.0 110.837 172.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 118.43 179.16 17.06 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.232 1.396 . . . . 0.0 113.652 178.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.08 155.89 39.8 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.577 -0.955 . . . . 0.0 112.748 174.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.33 9.19 57.33 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.216 0.912 . . . . 0.0 115.022 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.99 166.32 16.06 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 118.343 1.072 . . . . 0.0 111.89 173.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 32.7 t -67.94 151.06 47.72 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.512 -0.743 . . . . 0.0 111.636 174.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.02 -40.53 67.12 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 123.374 0.67 . . . . 0.0 112.211 168.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.8 t -62.13 -36.69 82.54 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 123.347 0.659 . . . . 0.0 111.856 174.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.73 -46.38 72.33 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.654 1.116 . . . . 0.0 112.259 175.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -64.26 -47.67 78.69 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.131 0.878 . . . . 0.0 112.442 175.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.36 -42.49 98.88 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.425 1.09 . . . . 0.0 112.342 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -64.53 -44.34 91.15 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 119.397 0.999 . . . . 0.0 111.201 172.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.69 -43.59 93.98 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.293 0.951 . . . . 0.0 111.325 177.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 54.7 mt -64.76 -48.12 85.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 124.386 1.074 . . . . 0.0 111.694 171.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.82 -31.11 71.88 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.382 0.992 . . . . 0.0 112.953 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.4 mmm-85 -80.64 -36.92 31.88 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.711 1.604 . . . . 0.0 112.203 171.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.89 -52.83 25.34 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 120.447 1.476 . . . . 0.0 111.291 174.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.35 -44.62 88.85 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.555 1.142 . . . . 0.0 111.598 169.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.07 -50.77 62.17 Favored Glycine 0 CA--C 1.524 0.613 0 CA-C-O 119.172 -0.794 . . . . 0.0 112.913 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -63.17 -42.1 99.34 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.759 1.279 . . . . 0.0 111.954 174.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -63.2 -52.06 63.81 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.819 1.19 . . . . 0.0 111.166 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 38.3 mt -67.57 -26.94 66.53 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 120.391 -1.443 . . . . 0.0 112.58 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.35 -47.58 70.0 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.379 0.991 . . . . 0.0 112.591 168.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 64.1 p -69.13 -28.82 66.8 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.249 0.931 . . . . 0.0 112.859 177.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -75.52 -10.14 59.18 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 167.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 62.26 22.6 63.33 Favored Glycine 0 CA--C 1.539 1.572 0 O-C-N 121.1 -1.0 . . . . 0.0 114.344 -174.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.9 t -66.99 -37.16 78.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.775 1.23 . . . . 0.0 110.989 173.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 pp -95.31 155.52 16.7 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.567 1.147 . . . . 0.0 111.497 170.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -148.71 152.69 37.07 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.809 1.644 . . . . 0.0 108.812 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.57 -20.13 2.78 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 58.1 t -42.93 -48.54 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 127.234 2.214 . . . . 0.0 112.586 166.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -160.36 24.44 0.16 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.175 1.39 . . . . 0.0 113.409 -176.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.22 -39.41 63.74 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 120.61 -1.306 . . . . 0.0 112.68 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.0 p -63.49 -58.62 6.44 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 117.909 0.322 . . . . 0.0 110.77 171.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.37 -37.14 64.62 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -179.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 47.0 mt -68.23 -23.1 64.77 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 120.989 -1.069 . . . . 0.0 113.662 174.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.56 -47.04 91.13 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 123.653 0.644 . . . . 0.0 111.845 167.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.1 m -62.88 -37.33 86.45 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 117.673 0.736 . . . . 0.0 112.661 170.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.2 -47.03 84.26 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 119.735 1.152 . . . . 0.0 112.886 177.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.4 tt -66.27 -40.88 90.44 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.32 -0.863 . . . . 0.0 111.876 171.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.68 -34.81 77.89 Favored 'General case' 0 C--O 1.224 -0.25 0 O-C-N 121.423 -0.798 . . . . 0.0 112.262 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -66.31 -37.78 86.19 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.092 0.86 . . . . 0.0 111.859 170.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.35 -47.04 80.87 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.43 1.014 . . . . 0.0 112.568 174.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 73.0 mt -67.32 -33.22 74.81 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.456 -0.778 . . . . 0.0 112.174 172.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 21.0 t -64.05 -46.11 85.83 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.721 174.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.68 -33.53 70.24 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.662 1.119 . . . . 0.0 112.91 171.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.3 t -78.74 -43.06 26.54 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.535 1.134 . . . . 0.0 113.254 -177.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.56 -44.73 81.53 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.133 -0.979 . . . . 0.0 111.47 168.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.85 -27.32 66.56 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.366 1.066 . . . . 0.0 112.651 172.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.28 -54.99 24.55 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 119.736 1.153 . . . . 0.0 111.876 175.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.5 t . . . . . 0 N--CA 1.469 0.513 0 CA-C-N 117.738 0.244 . . . . 0.0 110.803 174.027 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.2 p . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 113.102 0.778 . . . . 0.0 113.102 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.2 m -63.53 -39.47 94.5 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.046 0.939 . . . . 0.0 112.924 173.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.67 -42.56 58.25 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.506 0.722 . . . . 0.0 111.186 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -54.41 -49.28 70.3 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.984 0.914 . . . . 0.0 110.607 170.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.08 -22.12 66.91 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 173.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -50.37 49.34 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 121.296 1.862 . . . . 0.0 111.115 172.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.58 -38.09 67.99 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.899 0.48 . . . . 0.0 110.391 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.83 -49.84 76.2 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 117.549 -1.215 . . . . 0.0 111.391 168.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.3 m -57.1 -41.48 79.0 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 121.022 1.737 . . . . 0.0 112.837 173.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.7 t -59.81 -46.61 88.67 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.267 0.94 . . . . 0.0 111.89 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.0 m -69.54 -50.3 46.26 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 173.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.91 -36.33 81.04 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.508 1.523 . . . . 0.0 113.049 -175.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.3 -25.77 63.48 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.841 0.857 . . . . 0.0 112.997 172.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.29 -32.17 33.28 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.775 1.63 . . . . 0.0 112.289 171.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.9 m -67.13 72.19 0.1 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 127.539 2.336 . . . . 0.0 112.385 176.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.3 t -53.01 -32.57 47.36 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.407 1.083 . . . . 0.0 112.895 177.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.22 -39.85 84.01 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 170.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 60.4 mt -74.66 -46.26 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.442 1.097 . . . . 0.0 110.555 176.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.4 m -60.01 -42.6 94.67 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.828 0.74 . . . . 0.0 112.487 176.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.4 mtm-85 -70.23 -35.96 74.19 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 117.487 -1.244 . . . . 0.0 113.158 173.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -44.39 94.42 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 120.718 1.599 . . . . 0.0 111.733 171.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -66.69 -35.05 79.23 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 174.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.0 -27.6 54.73 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.233 0.924 . . . . 0.0 113.184 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.0 t -68.53 -42.28 78.71 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.476 1.51 . . . . 0.0 112.163 176.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.4 m -74.75 141.78 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-O 121.482 0.658 . . . . 0.0 112.272 174.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -127.86 18.77 6.67 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.254 1.422 . . . . 0.0 112.468 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.0 m -142.79 139.13 30.85 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.116 1.766 . . . . 0.0 110.306 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.35 -36.15 75.2 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.325 0.65 . . . . 0.0 112.219 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.96 -27.25 63.6 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 172.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.11 -42.31 60.26 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 120.827 -1.17 . . . . 0.0 110.648 174.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.61 93.71 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.987 -0.445 . . . . 0.0 111.882 169.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.3 p -64.71 -38.27 90.43 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.136 0.88 . . . . 0.0 111.765 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.1 t -63.89 -44.65 92.38 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.522 1.129 . . . . 0.0 112.534 173.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.57 -46.85 84.0 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.461 1.028 . . . . 0.0 110.763 174.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.85 -31.69 72.76 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.397 1.079 . . . . 0.0 112.548 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -72.11 -46.11 57.97 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.096 0.958 . . . . 0.0 111.51 172.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -59.71 -54.22 48.84 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.262 0.937 . . . . 0.0 112.513 175.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.8 pt -69.15 -30.09 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 O-C-N 121.672 -0.642 . . . . 0.0 111.588 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.18 -40.13 82.42 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 124.57 1.081 . . . . 0.0 112.594 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mp -58.58 -48.94 79.27 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.822 1.249 . . . . 0.0 111.126 169.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.0 t -63.84 -41.5 97.8 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 177.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.99 -48.01 75.51 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.693 0.797 . . . . 0.0 111.148 176.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.18 97.02 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.561 1.144 . . . . 0.0 112.621 177.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -63.27 -44.34 95.38 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 119.448 1.022 . . . . 0.0 112.734 171.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 t -64.44 -42.02 96.24 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.068 0.947 . . . . 0.0 112.475 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.5 mt -75.59 -27.68 58.63 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.659 1.584 . . . . 0.0 113.522 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.89 27.19 8.48 Favored Glycine 0 CA--C 1.54 1.601 0 C-N-CA 125.159 1.362 . . . . 0.0 115.531 174.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.8 mp -68.34 132.26 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 125.123 1.369 . . . . 0.0 110.4 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.76 12.23 1.13 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 126.118 1.767 . . . . 0.0 115.188 -178.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.65 52.72 0.1 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.418 1.887 . . . . 0.0 110.374 -171.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.3 p-10 -49.83 -41.88 45.91 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.996 -1.065 . . . . 0.0 113.229 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.4 p -61.43 -29.65 70.08 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.351 1.46 . . . . 0.0 114.445 174.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.37 -39.89 15.97 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.262 0.937 . . . . 0.0 112.018 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -58.27 9.19 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.319 1.047 . . . . 0.0 109.638 174.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.11 -29.38 69.69 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.305 1.042 . . . . 0.0 112.462 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -63.44 -46.87 91.59 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 123.877 0.751 . . . . 0.0 112.392 172.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.4 -40.34 96.18 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.803 -0.822 . . . . 0.0 112.131 172.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.58 -42.65 99.68 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.004 0.82 . . . . 0.0 112.35 173.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.7 -43.6 97.57 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.563 1.145 . . . . 0.0 112.011 176.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -68.92 -36.63 78.21 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 174.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.05 97.29 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.014 0.824 . . . . 0.0 112.313 173.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.5 t -60.02 -48.53 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 125.392 1.477 . . . . 0.0 111.533 172.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.31 -24.39 55.51 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 123.797 0.713 . . . . 0.0 114.147 173.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.64 -30.07 68.99 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.21 1.386 . . . . 0.0 114.479 174.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 67.5 t -79.76 -48.63 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 118.559 1.179 . . . . 0.0 111.157 175.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.42 162.55 31.43 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.577 1.084 . . . . 0.0 114.653 -176.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.55 160.07 32.2 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 -173.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.06 -10.53 9.54 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.213 1.387 . . . . 0.0 114.404 -174.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.27 160.29 16.1 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.659 1.184 . . . . 0.0 111.895 169.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.0 t -59.65 149.35 30.71 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.424 0.69 . . . . 0.0 112.261 177.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.05 -36.51 65.63 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.841 -0.537 . . . . 0.0 111.574 167.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 m -61.35 -34.54 75.45 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 172.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.62 -46.77 65.48 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 120.33 1.423 . . . . 0.0 111.811 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -63.7 -49.23 73.92 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.957 0.503 . . . . 0.0 112.307 173.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.59 -43.44 93.69 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.289 1.036 . . . . 0.0 111.698 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -62.2 -45.98 90.97 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-O 118.032 -0.985 . . . . 0.0 111.851 172.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.24 90.63 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 120.293 1.406 . . . . 0.0 112.817 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 53.8 mt -67.18 -45.46 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 123.609 0.764 . . . . 0.0 111.158 172.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.66 -34.45 77.12 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.172 0.896 . . . . 0.0 112.681 175.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -66.92 -42.62 85.06 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.022 1.729 . . . . 0.0 111.653 168.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.6 -34.72 46.55 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.055 1.298 . . . . 0.0 112.934 -174.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.29 -47.85 72.28 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.842 0.857 . . . . 0.0 110.937 164.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.25 -48.44 86.11 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 124.91 1.243 . . . . 0.0 113.668 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -63.52 -34.04 76.9 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.225 1.512 . . . . 0.0 111.799 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -65.75 -49.09 69.64 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.464 0.575 . . . . 0.0 110.207 174.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.6 mt -66.2 -24.19 66.57 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 120.999 -1.063 . . . . 0.0 113.046 173.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.77 -50.2 58.34 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 120.823 -1.173 . . . . 0.0 111.555 170.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 62.7 p -71.43 -27.29 63.18 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.451 -0.78 . . . . 0.0 113.071 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -77.1 -5.15 47.83 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 168.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 67.97 26.42 73.98 Favored Glycine 0 CA--C 1.539 1.539 0 CA-C-N 119.572 1.078 . . . . 0.0 114.379 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 40.8 t -85.99 -30.72 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.743 1.617 . . . . 0.0 111.805 175.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 24.9 mt -71.05 117.35 12.44 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.397 0.999 . . . . 0.0 110.315 169.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -137.87 151.88 48.49 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.491 1.516 . . . . 0.0 110.159 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.02 -13.73 5.22 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 173.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 41.6 t -47.81 -49.72 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 126.642 1.977 . . . . 0.0 111.879 168.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -174.93 32.94 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.529 1.531 . . . . 0.0 114.495 -176.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -49.51 -35.7 20.87 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 120.108 -1.62 . . . . 0.0 113.572 176.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.0 t -59.84 -61.81 2.34 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.361 0.665 . . . . 0.0 111.473 169.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -29.31 70.28 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -176.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.45 -28.31 69.72 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 120.796 -1.19 . . . . 0.0 112.889 170.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.45 -39.85 94.22 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 123.78 0.705 . . . . 0.0 112.43 171.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.41 -43.62 96.52 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 118.864 -0.589 . . . . 0.0 111.49 167.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.46 -46.21 89.4 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.67 1.123 . . . . 0.0 112.884 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -67.32 -44.58 78.79 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.611 -0.68 . . . . 0.0 111.792 177.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.46 -32.92 74.58 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 120.991 -1.068 . . . . 0.0 113.22 177.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -66.37 -37.76 86.03 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.992 0.815 . . . . 0.0 111.407 170.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.6 -45.94 84.8 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.936 0.789 . . . . 0.0 112.489 173.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 53.9 mt -64.39 -36.3 83.71 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.481 -0.762 . . . . 0.0 112.382 172.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 34.9 t -62.48 -42.49 99.52 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.141 0.976 . . . . 0.0 112.069 173.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.29 -47.31 78.9 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.981 0.912 . . . . 0.0 111.294 171.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 51.9 m -70.82 -30.2 66.56 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -75.41 -37.86 60.19 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.218 1.007 . . . . 0.0 112.353 174.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.82 -39.09 90.57 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.724 -0.61 . . . . 0.0 111.19 166.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -64.53 -34.07 77.37 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 170.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.478 0.942 0 O-C-N 120.638 -1.289 . . . . 0.0 112.738 172.311 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.468 0.434 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -69.63 -35.8 75.57 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 121.128 -0.982 . . . . 0.0 112.426 175.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.24 -48.49 75.57 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.728 0.811 . . . . 0.0 111.089 174.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -56.26 -49.41 74.27 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.54 1.536 . . . . 0.0 111.22 172.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.63 -19.17 63.52 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.333 1.235 . . . . 0.0 114.333 172.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -54.77 7.08 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 120.912 1.687 . . . . 0.0 111.533 174.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.2 -37.54 81.01 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.265 -0.897 . . . . 0.0 111.719 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.3 -51.69 68.46 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 117.785 -1.102 . . . . 0.0 110.383 172.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.2 t -55.47 -42.83 74.89 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 120.78 1.627 . . . . 0.0 112.352 173.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.6 t -58.18 -43.59 87.6 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.141 0.882 . . . . 0.0 112.486 177.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.7 t -75.82 -48.1 22.97 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.068 0.947 . . . . 0.0 112.531 176.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.9 mt -58.94 -36.5 74.88 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.994 1.717 . . . . 0.0 112.209 178.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.17 -16.88 62.55 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.378 1.471 . . . . 0.0 114.26 173.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.3 p -107.58 0.94 22.93 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.194 1.397 . . . . 0.0 112.355 173.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.6 m -89.06 74.53 8.07 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 126.547 1.939 . . . . 0.0 110.963 174.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.2 m -53.15 -29.86 33.7 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.68 94.7 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.167 0.894 . . . . 0.0 113.104 171.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.8 mt -69.68 -46.65 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 124.039 0.936 . . . . 0.0 109.933 175.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.8 m -60.07 -41.18 91.84 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -40.22 75.65 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 117.587 -1.197 . . . . 0.0 113.075 173.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.88 -44.15 94.36 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 120.388 1.449 . . . . 0.0 111.411 174.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -72.92 -30.75 64.14 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 176.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.98 -26.28 43.37 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 119.548 1.067 . . . . 0.0 113.008 172.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.3 t -65.73 -42.24 91.26 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.441 1.496 . . . . 0.0 111.855 174.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.8 m -75.94 140.06 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 121.412 0.625 . . . . 0.0 111.601 173.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.0 m -126.6 19.1 7.37 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.301 1.44 . . . . 0.0 112.279 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.9 t -136.68 137.14 39.7 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.538 1.535 . . . . 0.0 110.161 177.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.5 -33.98 70.42 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.217 0.607 . . . . 0.0 112.036 176.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 t -68.68 -39.95 80.35 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.556 0.743 . . . . 0.0 112.155 174.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.91 -45.2 86.89 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.287 -0.883 . . . . 0.0 111.861 175.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.16 -43.35 98.54 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.779 -0.576 . . . . 0.0 112.08 173.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.6 t -57.02 -49.81 74.65 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.198 1.399 . . . . 0.0 111.875 173.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.7 m -63.13 -39.65 95.3 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.472 1.109 . . . . 0.0 113.231 175.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.48 -50.27 65.96 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.405 1.002 . . . . 0.0 110.358 173.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.4 -32.09 73.43 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 120.828 -1.17 . . . . 0.0 113.023 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -61.5 -57.68 11.17 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.757 1.223 . . . . 0.0 110.945 166.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -59.22 -41.33 88.37 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.937 1.295 . . . . 0.0 113.938 -178.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.8 mm -69.5 -38.39 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.413 1.485 . . . . 0.0 110.561 173.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.43 -35.58 66.72 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 125.944 1.735 . . . . 0.0 114.459 169.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -59.51 -48.94 79.71 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 120.444 2.122 . . . . 0.0 111.519 173.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.2 m -68.1 -41.06 82.37 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.717 -0.614 . . . . 0.0 112.028 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.84 -44.83 91.05 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.732 0.696 . . . . 0.0 111.348 173.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.79 -40.04 96.08 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.688 1.195 . . . . 0.0 113.027 175.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -64.55 -45.57 86.55 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.534 1.061 . . . . 0.0 112.412 172.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.2 m -62.26 -23.36 66.65 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.604 1.162 . . . . 0.0 113.643 175.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.9 mt -105.05 5.93 32.9 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.954 1.702 . . . . 0.0 112.85 177.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.31 32.06 63.38 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.972 1.748 . . . . 0.0 115.673 177.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 38.6 mm -62.27 130.23 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.974 1.31 . . . . 0.0 111.32 -176.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.34 14.51 1.2 Allowed 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 125.893 1.677 . . . . 0.0 115.197 -177.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 m -170.77 62.7 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 128.87 2.868 . . . . 0.0 109.03 -177.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.8 p30 -53.13 -30.42 36.72 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 120.963 -1.086 . . . . 0.0 113.532 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.9 t -59.41 -41.33 89.23 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.997 1.719 . . . . 0.0 113.579 170.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.23 -39.01 55.6 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.234 -0.916 . . . . 0.0 111.648 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -51.8 59.03 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 122.982 0.513 . . . . 0.0 110.933 175.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.42 -38.12 79.81 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.827 0.851 . . . . 0.0 112.141 174.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.98 -46.83 92.73 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 124.175 0.893 . . . . 0.0 113.329 173.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.63 -38.99 93.23 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 118.509 1.155 . . . . 0.0 112.379 174.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.43 -37.71 88.47 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.806 1.242 . . . . 0.0 112.708 172.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.8 91.87 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.375 1.07 . . . . 0.0 111.694 173.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -63.95 -34.47 78.04 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.722 0.809 . . . . 0.0 112.67 173.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.97 -53.26 59.45 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.505 0.722 . . . . 0.0 111.832 175.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.6 t -66.88 -43.98 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.87 0.868 . . . . 0.0 112.455 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.09 -25.19 64.06 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.236 0.922 . . . . 0.0 113.573 174.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.07 -41.1 99.67 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.347 1.451 . . . . 0.0 113.602 174.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.6 t -87.19 -47.53 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-N 117.904 0.852 . . . . 0.0 111.099 173.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.57 163.78 8.81 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 125.765 1.65 . . . . 0.0 114.87 -177.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.09 132.03 52.81 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 121.53 -0.982 . . . . 0.0 113.452 -176.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 136.49 -39.49 1.64 Allowed Glycine 0 CA--C 1.535 1.339 0 C-N-CA 126.128 1.823 . . . . 0.0 113.604 177.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.32 169.81 5.4 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.528 1.131 . . . . 0.0 113.029 171.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 78.8 p -68.28 158.36 33.55 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.198 -0.939 . . . . 0.0 112.45 173.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.46 -29.94 64.64 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.64 -0.663 . . . . 0.0 112.704 170.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.0 t -59.63 -38.36 81.12 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.68 0.792 . . . . 0.0 112.602 172.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.78 -42.93 94.69 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.905 1.229 . . . . 0.0 112.415 176.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -68.67 -43.41 76.23 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.593 0.757 . . . . 0.0 111.668 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.98 -39.87 75.45 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.802 1.241 . . . . 0.0 111.854 171.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -64.79 -49.5 70.43 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.904 0.774 . . . . 0.0 111.257 173.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.07 -44.03 96.92 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.612 0.642 . . . . 0.0 111.788 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 43.3 mt -60.13 -53.67 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.577 1.551 . . . . 0.0 110.933 173.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.86 -22.94 64.18 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -81.2 -33.98 32.58 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.395 1.078 . . . . 0.0 113.416 167.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.57 -51.82 15.58 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 120.776 1.626 . . . . 0.0 110.924 176.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.48 -44.66 92.98 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.14 0.976 . . . . 0.0 111.346 168.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.75 -48.69 82.54 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-O 118.895 -0.947 . . . . 0.0 113.104 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -62.57 -44.92 95.13 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 119.141 1.47 . . . . 0.0 111.678 174.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -64.76 -48.62 73.86 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.159 0.891 . . . . 0.0 111.872 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.2 mt -69.02 -27.15 65.41 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.542 -1.349 . . . . 0.0 112.526 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.28 -47.21 71.3 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.481 1.037 . . . . 0.0 112.221 168.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 61.9 p -69.06 -30.66 69.04 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.318 0.963 . . . . 0.0 112.815 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -74.9 -8.66 57.12 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 168.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 61.73 21.27 60.53 Favored Glycine 0 CA--C 1.539 1.572 0 O-C-N 121.138 -0.976 . . . . 0.0 114.365 -174.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.5 t -64.83 -35.16 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.706 1.203 . . . . 0.0 110.835 172.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 pp -105.7 151.28 24.62 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.566 1.146 . . . . 0.0 111.531 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -150.87 152.84 34.28 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.062 1.745 . . . . 0.0 108.617 -175.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.93 -19.36 2.53 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 58.7 t -44.92 -48.2 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 127.169 2.187 . . . . 0.0 112.587 167.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -161.25 29.44 0.14 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.332 1.453 . . . . 0.0 113.163 -176.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.34 -41.17 68.77 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 120.763 -1.211 . . . . 0.0 112.67 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.6 p -59.16 -59.89 4.74 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 123.148 0.579 . . . . 0.0 111.647 167.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -36.06 63.93 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -177.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 76.1 mt -66.34 -25.8 66.99 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.695 1.198 . . . . 0.0 114.009 173.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.77 -42.32 94.41 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 123.762 0.696 . . . . 0.0 112.059 167.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -33.28 75.3 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 171.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.36 -47.57 72.98 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 119.061 0.846 . . . . 0.0 112.543 176.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.03 -39.36 83.1 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.224 -0.922 . . . . 0.0 112.135 172.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.32 -37.08 85.85 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 119.421 1.009 . . . . 0.0 111.887 175.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -64.52 -34.64 78.71 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.312 0.96 . . . . 0.0 112.552 168.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.05 -47.33 71.65 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 120.317 1.417 . . . . 0.0 112.665 175.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 29.4 mt -65.54 -39.82 92.18 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.253 1.021 . . . . 0.0 111.418 172.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 34.4 t -69.59 -42.97 73.75 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.594 1.158 . . . . 0.0 113.344 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -56.04 -44.96 79.32 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.761 1.164 . . . . 0.0 110.601 173.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.9 t -66.77 -47.66 71.46 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 176.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.68 -35.23 78.46 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.694 1.134 . . . . 0.0 113.361 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.64 -43.73 95.92 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.584 1.154 . . . . 0.0 111.612 170.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -66.02 -33.74 76.5 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.558 -0.714 . . . . 0.0 112.536 171.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 N--CA 1.47 0.536 0 O-C-N 120.567 -1.333 . . . . 0.0 111.648 174.367 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.2 p . . . . . 0 N--CA 1.471 0.614 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 t -67.51 -38.06 83.72 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.363 0.665 . . . . 0.0 111.82 174.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.52 -44.44 82.47 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.446 1.021 . . . . 0.0 111.849 172.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.4 ' CD1' HD21 ' A' ' 95' ' ' LEU . 62.1 t80 -58.56 -49.6 76.85 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 120.994 -1.066 . . . . 0.0 110.238 173.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.1 -29.05 70.49 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-O 117.807 -1.092 . . . . 0.0 113.17 174.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -65.37 -56.22 13.77 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 121.583 1.992 . . . . 0.0 111.477 175.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.65 -41.48 88.19 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.485 0.584 . . . . 0.0 111.618 178.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.81 -52.79 64.01 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 117.684 -1.151 . . . . 0.0 110.58 174.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.3 m -58.9 -35.67 73.42 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 120.669 1.577 . . . . 0.0 113.033 174.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.34 -44.96 92.58 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.492 1.042 . . . . 0.0 111.453 175.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.6 t -73.34 -51.4 17.57 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.731 0.812 . . . . 0.0 112.079 174.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.6 mt -57.96 -36.64 72.84 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.247 2.219 . . . . 0.0 113.19 -178.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.07 -27.01 61.48 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 124.342 1.057 . . . . 0.0 113.104 173.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.7 -28.97 36.52 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.828 1.651 . . . . 0.0 112.413 172.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.2 m -70.52 74.77 0.56 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 127.085 2.154 . . . . 0.0 112.453 177.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.3 m -52.63 -31.56 37.39 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.958 0.903 . . . . 0.0 113.202 175.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.32 -39.85 94.39 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.304 0.957 . . . . 0.0 113.187 172.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 64.2 mt -70.27 -46.06 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 124.117 0.967 . . . . 0.0 110.146 175.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.1 t -59.36 -43.37 92.86 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.031 0.532 . . . . 0.0 111.776 175.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -62.61 -43.99 97.43 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 117.752 -1.118 . . . . 0.0 113.183 171.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.44 -43.82 93.04 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 120.413 1.46 . . . . 0.0 111.79 175.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -65.51 -36.14 82.97 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.67 -26.06 50.05 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 174.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.8 t -66.82 -42.69 85.46 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 125.457 1.503 . . . . 0.0 111.867 177.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.8 m -74.85 148.38 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 O-C-N 121.955 -0.466 . . . . 0.0 112.091 171.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.7 p -136.76 19.11 3.05 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.222 1.409 . . . . 0.0 113.015 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.32 137.23 38.73 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.704 2.002 . . . . 0.0 109.747 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.08 -36.69 77.95 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.927 -0.483 . . . . 0.0 112.233 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 m -70.24 -31.3 68.64 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 171.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.64 -40.7 72.92 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 120.427 -1.421 . . . . 0.0 110.672 173.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.9 -42.15 90.58 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.734 0.813 . . . . 0.0 111.623 171.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.8 p -61.59 -41.6 97.66 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 120.938 -1.101 . . . . 0.0 111.066 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.4 t -69.19 -38.96 78.91 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.797 1.239 . . . . 0.0 113.265 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.83 -45.75 91.15 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.538 -1.351 . . . . 0.0 110.586 173.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.05 -27.9 65.02 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.411 0.684 . . . . 0.0 112.121 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -63.46 -53.44 52.11 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 123.721 0.808 . . . . 0.0 110.308 168.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.35 -45.38 84.41 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 120.39 -1.444 . . . . 0.0 113.134 -179.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.1 mt -62.43 -43.11 97.91 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 124.745 1.218 . . . . 0.0 110.974 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.18 -39.66 92.47 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 125.091 1.329 . . . . 0.0 113.026 176.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.9 -52.34 65.47 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.534 1.667 . . . . 0.0 110.524 174.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.9 m -64.76 -31.84 73.25 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.18 -48.25 44.65 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.301 -0.874 . . . . 0.0 111.949 172.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.08 -37.35 69.21 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.886 1.274 . . . . 0.0 112.008 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.6 mmm-85 -62.32 -41.75 98.8 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.781 1.632 . . . . 0.0 113.778 170.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.0 m -65.19 -40.52 94.35 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.932 0.787 . . . . 0.0 112.208 173.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 mp -75.35 -23.17 57.16 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.675 0.79 . . . . 0.0 112.679 176.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.5 26.34 23.31 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 125.265 1.412 . . . . 0.0 114.447 176.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.37 137.24 22.08 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.99 0 C-N-CA 124.764 1.226 . . . . 0.0 110.738 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.4 8.52 21.34 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 125.181 1.393 . . . . 0.0 114.11 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.9 p -152.48 51.74 0.77 Allowed 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.408 1.883 . . . . 0.0 110.196 -173.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -53.97 -37.99 64.54 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.347 -0.846 . . . . 0.0 110.552 -174.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 42.1 p -55.6 -36.45 66.95 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 127.141 2.177 . . . . 0.0 114.187 173.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.21 -40.26 21.94 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.626 1.171 . . . . 0.0 112.218 178.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.39 -58.52 6.81 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.813 0.845 . . . . 0.0 109.298 175.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.07 -35.68 77.59 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.904 1.282 . . . . 0.0 112.226 176.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.89 -42.64 96.84 Favored Glycine 0 CA--C 1.535 1.291 0 CA-C-N 119.078 0.854 . . . . 0.0 112.57 175.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.8 96.46 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.419 1.109 . . . . 0.0 111.675 171.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.36 -40.72 98.04 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.02 0.827 . . . . 0.0 112.952 174.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.15 -49.7 76.62 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.112 0.965 . . . . 0.0 111.285 174.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -63.37 -37.09 85.93 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.123 0.969 . . . . 0.0 112.143 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.38 -48.89 73.76 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.397 1.079 . . . . 0.0 112.434 176.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 38.9 t -63.08 -41.22 92.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 123.963 0.905 . . . . 0.0 111.64 175.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.66 -20.74 56.93 Favored Glycine 0 CA--C 1.541 1.674 0 C-N-CA 124.346 0.974 . . . . 0.0 113.783 171.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.51 -41.43 96.26 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 125.347 1.451 . . . . 0.0 113.15 176.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.0 t -79.58 -44.22 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 118.07 0.935 . . . . 0.0 110.512 171.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.2 166.36 10.71 Favored Glycine 0 CA--C 1.542 1.777 0 C-N-CA 123.964 0.792 . . . . 0.0 113.649 -175.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.45 155.17 18.89 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -173.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.67 43.62 7.7 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 124.215 0.912 . . . . 0.0 113.322 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -138.13 166.68 23.54 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.456 1.502 . . . . 0.0 112.208 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.3 m -60.57 148.33 38.47 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.742 1.217 . . . . 0.0 112.045 178.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.71 -41.33 70.16 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.581 -0.699 . . . . 0.0 111.793 171.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.9 t -56.52 -36.24 68.98 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.458 1.103 . . . . 0.0 112.969 173.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.65 -46.13 80.36 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 120.411 1.46 . . . . 0.0 112.027 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -68.84 -44.76 72.75 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.578 -0.701 . . . . 0.0 111.483 174.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.74 -38.09 86.66 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.19 1.396 . . . . 0.0 112.031 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -69.95 -46.55 65.02 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.533 1.533 . . . . 0.0 110.614 172.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.69 -43.13 80.2 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 120.061 1.301 . . . . 0.0 112.049 175.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 53.6 mt -60.41 -51.23 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 125.624 1.57 . . . . 0.0 111.235 170.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.16 -27.0 68.78 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 119.389 0.995 . . . . 0.0 113.227 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -77.43 -42.21 36.98 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.699 1.2 . . . . 0.0 112.19 170.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.78 -49.85 42.16 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.557 1.071 . . . . 0.0 111.879 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.87 88.48 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.962 0.905 . . . . 0.0 110.641 167.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -57.05 -46.03 91.86 Favored Glycine 0 CA--C 1.535 1.295 0 CA-C-O 119.014 -0.881 . . . . 0.0 113.076 177.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -62.24 -41.85 98.79 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.167 1.483 . . . . 0.0 111.821 172.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -60.88 -48.34 82.25 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.217 0.607 . . . . 0.0 111.12 175.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.0 mt -73.56 -22.15 60.15 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.003 0.921 . . . . 0.0 112.338 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.27 -52.76 36.85 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.621 -1.3 . . . . 0.0 111.1 167.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.5 t -66.68 -32.3 73.52 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -71.73 -7.88 50.8 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 170.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.92 11.52 69.87 Favored Glycine 0 CA--C 1.539 1.587 0 O-C-N 120.845 -1.159 . . . . 0.0 114.206 -178.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.9 t -69.31 -35.52 67.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 125.443 1.497 . . . . 0.0 110.713 175.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.4 HD21 ' CD1' ' A' ' 7' ' ' PHE . 55.0 mt -72.97 119.25 16.96 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 121.668 0.747 . . . . 0.0 110.986 169.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -148.13 150.37 33.71 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 127.063 2.145 . . . . 0.0 111.033 -175.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.26 -12.47 13.42 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 47.9 t -52.73 -49.66 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.133 1.773 . . . . 0.0 111.309 170.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -169.64 33.67 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.133 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -177.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -50.15 -33.59 19.55 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.774 1.624 . . . . 0.0 112.467 175.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.5 t -63.39 -64.31 0.94 Allowed 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.847 -0.533 . . . . 0.0 110.082 170.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.78 -30.79 69.12 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -174.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.22 -25.07 66.8 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.88 -1.138 . . . . 0.0 113.28 171.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -60.71 -46.71 93.93 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 124.156 0.884 . . . . 0.0 112.194 169.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.2 m -63.16 -37.18 86.22 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 117.934 0.867 . . . . 0.0 112.39 169.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.87 -46.4 90.74 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 119.975 1.261 . . . . 0.0 112.435 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -72.34 -40.89 67.05 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.429 -0.794 . . . . 0.0 111.577 177.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.8 -38.46 81.99 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.168 -0.957 . . . . 0.0 112.512 173.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -67.66 -36.42 80.7 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.875 0.761 . . . . 0.0 111.952 173.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.13 -46.28 88.03 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.287 0.948 . . . . 0.0 111.956 172.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 78.5 mt -65.86 -35.0 79.44 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.548 0.739 . . . . 0.0 111.929 173.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.9 t -63.92 -41.1 97.74 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.422 1.089 . . . . 0.0 112.286 173.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.5 -48.38 77.29 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.476 0.71 . . . . 0.0 110.647 170.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.4 m -65.46 -35.93 82.38 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 176.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -71.11 -45.51 63.51 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.845 1.258 . . . . 0.0 112.333 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.45 92.13 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.758 0.823 . . . . 0.0 110.813 170.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -67.1 -32.34 73.42 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 173.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.54 0.575 0 O-C-N 120.641 -1.287 . . . . 0.0 111.888 170.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.2 t . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -64.75 -37.2 86.79 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.203 -0.936 . . . . 0.0 112.725 175.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.35 -42.53 79.11 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.194 -0.941 . . . . 0.0 111.513 174.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -55.22 -49.48 71.85 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.958 0.903 . . . . 0.0 110.772 172.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.57 -25.79 68.13 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 117.457 -1.259 . . . . 0.0 113.817 174.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -71.95 -46.57 57.0 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 121.023 1.738 . . . . 0.0 113.297 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.04 -41.38 70.87 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.128 -0.982 . . . . 0.0 111.1 176.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.01 -50.33 73.77 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 118.479 -0.772 . . . . 0.0 111.105 171.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.7 p -62.22 -34.71 77.01 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 120.252 1.387 . . . . 0.0 112.815 176.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 m -57.33 -47.39 81.7 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.907 1.685 . . . . 0.0 112.573 171.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.2 m -72.04 -45.93 58.95 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.7 mt -66.92 -31.26 71.72 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.604 1.161 . . . . 0.0 111.913 -179.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.9 -36.59 78.22 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.915 1.286 . . . . 0.0 113.327 174.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 t -83.52 -3.33 57.54 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 174.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.0 t -105.55 77.6 1.29 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.236 1.414 . . . . 0.0 111.301 -175.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.6 m -53.91 -25.13 18.73 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.312 1.226 . . . . 0.0 114.312 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.75 -32.14 72.37 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.269 1.028 . . . . 0.0 113.468 172.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.3 mm -70.59 -48.5 58.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.352 1.461 . . . . 0.0 109.749 173.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.5 m -57.52 -39.33 76.3 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 123.498 0.719 . . . . 0.0 111.793 174.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -61.31 -53.11 60.95 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 116.848 -1.548 . . . . 0.0 112.005 168.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.51 -35.96 31.76 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 121.549 1.977 . . . . 0.0 113.733 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -82.97 -36.03 25.44 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 176.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.28 -23.85 47.03 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.397 0.999 . . . . 0.0 113.271 176.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.2 m -62.78 -27.5 69.34 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 127.314 2.246 . . . . 0.0 113.376 174.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.5 m -96.34 154.03 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 123.62 0.768 . . . . 0.0 111.109 172.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.4 m -121.26 15.1 11.37 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.936 1.295 . . . . 0.0 112.575 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.7 m -140.34 139.93 35.49 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.916 1.686 . . . . 0.0 110.79 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.73 98.39 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.451 0.701 . . . . 0.0 110.917 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.1 t -65.0 -32.23 73.86 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.013 0.925 . . . . 0.0 112.86 176.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.47 -41.21 76.48 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.954 -1.091 . . . . 0.0 111.801 173.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.93 -41.52 98.04 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.503 0.592 . . . . 0.0 111.185 168.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.0 m -57.05 -46.33 82.51 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.227 1.011 . . . . 0.0 111.489 175.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.2 m -63.7 -44.1 94.66 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 118.903 0.774 . . . . 0.0 112.721 173.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.8 -49.98 74.15 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.69 1.132 . . . . 0.0 111.609 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.68 -35.91 81.2 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.41 1.484 . . . . 0.0 112.205 177.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -63.15 -50.31 70.91 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.278 1.031 . . . . 0.0 111.46 169.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -58.91 -50.29 74.58 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.653 1.115 . . . . 0.0 112.694 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.9 pt -70.02 -31.42 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 123.324 0.649 . . . . 0.0 112.1 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.18 -36.06 63.95 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 125.746 1.641 . . . . 0.0 113.678 175.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.8 mt -60.55 -43.01 97.7 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.143 1.472 . . . . 0.0 111.397 169.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.5 t -64.26 -43.75 93.9 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 118.401 0.546 . . . . 0.0 111.924 176.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.6 -44.87 93.24 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.553 -0.717 . . . . 0.0 111.964 171.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.64 -42.21 98.16 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.615 1.166 . . . . 0.0 112.901 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.3 mtp85 -61.72 -40.64 95.78 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.006 1.322 . . . . 0.0 112.196 173.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.0 t -64.57 -37.87 89.05 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.742 0.817 . . . . 0.0 112.7 172.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.0 mt -85.8 5.68 31.47 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.849 1.66 . . . . 0.0 113.792 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.07 30.0 69.4 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 125.396 1.474 . . . . 0.0 115.146 177.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.9 mm -61.41 133.33 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.519 1.528 . . . . 0.0 111.427 -174.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.12 11.54 1.8 Allowed 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 115.1 1.518 . . . . 0.0 115.1 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.67 66.43 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 128.532 2.733 . . . . 0.0 108.537 -173.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -53.02 -43.4 66.52 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.277 -0.889 . . . . 0.0 110.884 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.7 t -56.0 -38.12 70.05 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.853 1.661 . . . . 0.0 113.759 174.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.29 -40.65 36.24 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.302 0.955 . . . . 0.0 112.172 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.0 tt -61.59 -56.24 21.99 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.177 0.898 . . . . 0.0 109.892 172.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.32 -36.95 79.13 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.686 0.795 . . . . 0.0 112.113 -178.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.52 -43.16 78.61 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.515 1.055 . . . . 0.0 113.508 174.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.68 -36.33 83.48 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 118.546 1.173 . . . . 0.0 112.325 172.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.49 -40.93 80.71 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.985 1.314 . . . . 0.0 112.349 172.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.22 -41.55 79.69 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.908 0.883 . . . . 0.0 112.105 171.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -62.59 -31.43 72.25 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 174.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.81 -42.4 67.1 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.069 0.849 . . . . 0.0 111.971 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 t -60.81 -46.53 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.443 1.097 . . . . 0.0 112.032 171.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.71 -5.29 30.27 Favored Glycine 0 CA--C 1.539 1.549 0 C-N-CA 124.334 0.969 . . . . 0.0 114.403 170.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.44 -34.14 29.65 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.425 1.488 . . . . 0.0 113.698 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 13.7 t -83.46 -50.13 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-N 118.365 1.082 . . . . 0.0 111.432 177.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.95 174.83 18.83 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 125.064 1.316 . . . . 0.0 114.084 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.32 152.89 40.75 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.231 1.013 . . . . 0.0 112.543 -177.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.06 9.79 36.74 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 123.94 0.781 . . . . 0.0 114.918 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.72 165.48 10.32 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.92 1.288 . . . . 0.0 112.423 173.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.3 t -61.65 145.79 51.11 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 122.922 0.489 . . . . 0.0 111.943 178.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.37 -42.25 81.75 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.605 -0.684 . . . . 0.0 112.512 172.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.4 m -66.54 -26.49 67.16 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 173.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.09 -43.27 65.07 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 119.373 0.988 . . . . 0.0 111.58 174.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -64.18 -44.85 90.76 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.798 0.727 . . . . 0.0 111.942 171.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.49 -48.16 79.98 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.235 0.614 . . . . 0.0 111.985 175.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -65.28 -37.52 87.43 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 118.357 -0.83 . . . . 0.0 113.139 173.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.83 94.48 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 120.649 1.568 . . . . 0.0 112.306 176.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 78.2 mt -71.33 -43.02 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 O-C-N 121.116 -0.99 . . . . 0.0 110.555 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.46 -31.61 71.02 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 178.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -70.68 -32.95 70.39 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.679 1.127 . . . . 0.0 111.225 167.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.55 -44.5 64.46 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.82 1.191 . . . . 0.0 111.969 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.43 -45.58 86.91 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.846 -0.534 . . . . 0.0 111.267 169.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.67 -48.64 83.07 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 125.092 1.329 . . . . 0.0 113.487 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -63.24 -37.04 85.67 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.141 1.47 . . . . 0.0 111.005 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -67.65 -50.57 57.2 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.56 0.618 . . . . 0.0 110.404 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.9 mt -66.71 -29.34 69.3 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 120.88 -1.137 . . . . 0.0 112.449 176.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.68 -49.25 66.73 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.349 1.459 . . . . 0.0 112.59 171.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 70.8 p -67.8 -32.53 73.15 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.159 0.89 . . . . 0.0 112.317 178.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -77.76 -7.18 56.2 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 171.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 58.96 22.99 56.26 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.689 1.138 . . . . 0.0 114.355 -175.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 17.6 t -69.03 -41.69 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.137 1.375 . . . . 0.0 110.666 176.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 pp -87.89 154.93 20.13 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.542 0.737 . . . . 0.0 111.31 170.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -151.14 148.54 28.4 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.697 1.599 . . . . 0.0 108.712 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -47.1 -20.36 0.16 Allowed 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 176.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 95.8 t -43.12 -48.77 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 127.075 2.15 . . . . 0.0 112.636 164.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -160.62 24.65 0.15 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.474 1.51 . . . . 0.0 113.611 -177.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.98 -36.38 67.8 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 120.339 -1.476 . . . . 0.0 113.38 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 p -58.21 -64.35 0.95 Allowed 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 122.65 0.38 . . . . 0.0 111.189 165.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.9 -36.87 60.04 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 -178.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 66.0 mt -65.56 -28.51 69.21 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.012 -1.055 . . . . 0.0 113.125 172.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.0 -48.22 74.8 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 124.515 1.055 . . . . 0.0 112.227 168.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.5 m -63.43 -37.47 87.43 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.024 0.912 . . . . 0.0 113.014 171.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.15 96.72 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 7.9 tt -80.73 -33.64 35.02 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.495 -0.753 . . . . 0.0 112.158 173.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.62 -35.21 70.18 Favored 'General case' 0 C--O 1.222 -0.356 0 O-C-N 121.071 -1.018 . . . . 0.0 111.87 171.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -60.11 -36.74 78.11 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 119.236 0.925 . . . . 0.0 112.986 169.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.37 -51.4 66.03 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.39 0.996 . . . . 0.0 111.006 174.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.0 mt -63.88 -37.47 87.49 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.528 0.731 . . . . 0.0 112.279 177.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.5 m -64.23 -46.78 82.31 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.852 1.261 . . . . 0.0 112.95 174.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -62.93 -40.92 99.1 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.969 0.804 . . . . 0.0 111.451 173.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.7 m -67.52 -40.42 85.09 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.59 -43.8 83.91 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.399 -0.813 . . . . 0.0 111.565 171.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.19 -32.19 66.21 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.928 0.891 . . . . 0.0 112.125 171.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.3 -52.72 60.76 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.67 1.188 . . . . 0.0 111.815 176.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.472 0.627 0 O-C-N 121.885 -0.509 . . . . 0.0 111.652 176.584 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.6 m . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 t -65.27 -37.93 88.7 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.03 0.532 . . . . 0.0 112.123 175.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.8 -41.3 68.43 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.493 -0.754 . . . . 0.0 112.219 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -58.25 -51.11 71.13 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.143 0.977 . . . . 0.0 110.397 171.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.85 -22.06 66.92 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 117.855 -1.069 . . . . 0.0 113.778 173.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -74.4 -50.63 17.76 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 121.087 1.767 . . . . 0.0 112.477 174.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.23 84.99 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.154 0.888 . . . . 0.0 111.26 175.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.56 -47.23 86.35 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 118.338 -0.839 . . . . 0.0 111.09 171.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.0 t -57.38 -48.48 78.93 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.934 1.243 . . . . 0.0 111.993 174.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -39.76 88.79 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.536 1.062 . . . . 0.0 112.268 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.4 t -67.5 -55.55 13.08 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.886 0.874 . . . . 0.0 111.797 172.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.4 mt -61.2 -29.66 69.95 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.749 1.62 . . . . 0.0 113.195 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.51 -22.32 61.8 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.152 1.781 . . . . 0.0 113.861 172.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.6 t -103.23 -19.92 14.32 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.349 1.06 . . . . 0.0 112.899 174.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.1 m -66.32 79.46 0.1 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.693 1.997 . . . . 0.0 112.24 173.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.6 t -53.03 -35.77 59.81 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.559 -0.713 . . . . 0.0 112.042 173.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.44 -38.43 71.6 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 120.937 -1.102 . . . . 0.0 113.905 173.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.4 mm -69.11 -46.56 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.452 1.101 . . . . 0.0 109.761 174.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.2 t -59.48 -45.34 91.93 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.096 0.558 . . . . 0.0 112.46 177.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -66.77 -40.95 88.42 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.389 1.076 . . . . 0.0 112.44 175.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.55 -46.44 90.16 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.909 1.232 . . . . 0.0 111.983 173.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -70.43 -29.75 66.43 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 176.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.57 -22.56 40.63 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.388 0.994 . . . . 0.0 112.976 172.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.56 -37.49 84.03 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.191 1.396 . . . . 0.0 112.324 172.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.0 m -85.38 145.96 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 124.015 0.926 . . . . 0.0 111.407 175.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.3 m -121.07 -10.16 9.08 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.665 1.186 . . . . 0.0 113.88 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.0 m -104.31 143.47 32.93 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.946 1.298 . . . . 0.0 110.9 173.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.7 -41.01 89.78 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.428 0.691 . . . . 0.0 112.131 175.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.6 m -66.99 -30.21 70.26 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 171.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.0 -37.0 75.55 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 120.322 1.419 . . . . 0.0 112.006 174.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.28 -43.62 92.51 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.744 -0.597 . . . . 0.0 111.227 165.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -41.76 98.26 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 118.577 -0.725 . . . . 0.0 112.28 175.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.8 m -62.29 -43.41 98.9 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.935 1.294 . . . . 0.0 113.211 175.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -50.62 62.14 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.908 0.776 . . . . 0.0 110.108 175.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.34 -38.33 90.66 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.205 0.602 . . . . 0.0 110.627 -175.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -58.24 -56.41 22.39 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.404 1.481 . . . . 0.0 111.352 170.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -57.48 -40.23 78.13 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.8 mt -68.06 -39.67 81.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 125.251 1.421 . . . . 0.0 111.638 172.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.91 -37.21 77.13 Favored Glycine 0 C--O 1.223 -0.551 0 C-N-CA 126.925 2.202 . . . . 0.0 113.363 174.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -57.91 -36.61 72.7 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.188 1.494 . . . . 0.0 112.297 171.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.5 t -70.65 -47.4 60.21 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 119.247 0.931 . . . . 0.0 111.771 177.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.32 -48.8 78.02 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.908 -0.495 . . . . 0.0 110.869 172.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.89 -45.52 86.31 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.216 1.406 . . . . 0.0 112.888 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -60.26 -47.57 85.44 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.498 1.119 . . . . 0.0 112.353 173.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 57.8 m -64.64 -25.29 67.89 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 176.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.3 mt -96.27 2.57 53.0 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.934 1.694 . . . . 0.0 112.75 176.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.61 32.11 64.6 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 125.563 1.554 . . . . 0.0 115.002 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.409 HG21 ' H ' ' A' ' 53' ' ' SER . 42.7 mm -59.62 129.42 21.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 124.862 1.265 . . . . 0.0 111.068 -177.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.83 8.43 4.6 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.099 1.36 . . . . 0.0 114.392 -178.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.409 ' H ' HG21 ' A' ' 51' ' ' ILE . 50.0 p -163.31 52.98 0.17 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 127.748 2.419 . . . . 0.0 109.867 -170.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.04 -35.58 47.6 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.983 -1.073 . . . . 0.0 112.08 -176.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.5 p -63.12 -36.64 84.27 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.854 2.062 . . . . 0.0 113.568 173.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.81 -39.47 43.66 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.297 1.039 . . . . 0.0 112.155 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -68.35 -48.82 63.81 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.536 1.062 . . . . 0.0 110.809 175.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.33 86.19 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.753 -0.592 . . . . 0.0 111.764 173.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.38 -47.2 86.88 Favored Glycine 0 CA--C 1.534 1.255 0 O-C-N 121.394 -0.816 . . . . 0.0 113.406 174.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.0 -41.44 97.49 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.42 -1.047 . . . . 0.0 112.41 177.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.3 -35.05 75.61 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.437 -0.789 . . . . 0.0 111.903 174.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.03 91.65 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.257 -0.902 . . . . 0.0 111.263 174.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -63.99 -31.89 73.24 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 171.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.13 -48.6 73.0 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.144 0.884 . . . . 0.0 111.5 175.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.89 -40.04 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.42 0.688 . . . . 0.0 112.171 175.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.13 -18.72 65.22 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.766 1.174 . . . . 0.0 113.591 173.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.09 -42.18 92.12 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.172 1.368 . . . . 0.0 113.343 176.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.5 t -79.17 -47.22 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 117.852 0.826 . . . . 0.0 111.04 174.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.47 155.15 10.94 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 124.984 1.278 . . . . 0.0 114.678 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.94 140.4 58.84 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -173.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.27 -37.4 2.88 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 127.063 2.268 . . . . 0.0 113.938 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.78 176.84 0.83 Allowed 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 125.69 1.596 . . . . 0.0 114.113 171.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.1 t -67.66 147.54 52.55 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.054 -1.029 . . . . 0.0 112.578 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.05 -35.78 67.3 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.542 0.737 . . . . 0.0 112.986 171.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.2 m -62.69 -25.1 67.99 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 175.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.47 -39.58 64.8 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.902 1.228 . . . . 0.0 111.748 174.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.1 m-30 -68.72 -49.0 62.41 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.26 1.024 . . . . 0.0 111.129 175.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.4 -34.21 74.97 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.494 1.118 . . . . 0.0 112.0 176.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -60.2 -46.65 89.02 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.992 0.815 . . . . 0.0 112.062 166.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.82 -35.39 78.07 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.885 0.766 . . . . 0.0 112.218 177.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.0 mm -73.82 -43.44 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 118.877 0.762 . . . . 0.0 111.143 175.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.39 -32.78 73.64 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.992 0.917 . . . . 0.0 112.527 175.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -72.86 -44.84 60.88 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.413 1.485 . . . . 0.0 112.863 169.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.18 -43.12 82.99 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 120.212 1.369 . . . . 0.0 112.476 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.43 -42.88 70.97 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.588 0.755 . . . . 0.0 111.755 172.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.58 -50.38 67.65 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 124.235 0.922 . . . . 0.0 112.856 176.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -35.3 74.08 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 118.485 1.142 . . . . 0.0 111.747 175.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -64.18 -48.22 76.78 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.613 0.765 . . . . 0.0 111.117 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 48.8 mt -74.9 -31.3 61.53 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.816 0.846 . . . . 0.0 111.346 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.91 -49.15 71.56 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.971 1.309 . . . . 0.0 112.764 171.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.6 t -65.4 -32.69 74.45 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 119.028 0.831 . . . . 0.0 112.05 176.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -74.43 -7.18 52.09 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 171.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 61.08 19.24 56.65 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.544 1.068 . . . . 0.0 114.426 -175.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.7 t -67.15 -24.98 32.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.372 1.469 . . . . 0.0 111.129 171.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 28.6 mt -94.23 124.48 38.27 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.745 1.218 . . . . 0.0 111.061 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -133.36 152.32 51.91 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.821 1.648 . . . . 0.0 110.114 -175.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.24 -17.93 5.29 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.676 1.362 . . . . 0.0 114.676 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 48.2 t -45.53 -52.24 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 127.184 2.193 . . . . 0.0 111.948 171.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -170.61 27.36 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.559 1.544 . . . . 0.0 113.851 -177.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -50.81 -37.33 42.05 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 120.338 -1.477 . . . . 0.0 113.12 175.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.27 -64.41 0.84 Allowed 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 123.829 0.851 . . . . 0.0 110.268 170.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.1 m -63.25 -30.62 71.73 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -178.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 73.6 mt -62.99 -25.63 68.47 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.085 -1.009 . . . . 0.0 112.464 171.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.27 -38.78 91.24 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 123.707 0.67 . . . . 0.0 113.025 169.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.6 t -60.43 -37.71 81.76 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 122.229 -0.571 . . . . 0.0 111.802 172.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.38 -38.74 84.86 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.724 1.147 . . . . 0.0 112.816 176.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -68.59 -47.97 65.38 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.526 0.603 . . . . 0.0 111.312 174.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.86 -35.09 77.27 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 175.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -66.57 -38.65 87.53 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.106 0.962 . . . . 0.0 111.184 171.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.14 -47.88 82.6 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 118.971 0.805 . . . . 0.0 111.647 172.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 82.2 mt -59.0 -42.33 89.8 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.687 -0.633 . . . . 0.0 111.206 172.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.7 t -63.56 -43.82 95.93 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.543 1.137 . . . . 0.0 112.277 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -54.72 -51.47 65.49 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.818 0.847 . . . . 0.0 110.735 170.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.7 m -68.1 -34.28 76.1 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -74.91 -40.29 60.96 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 124.585 1.154 . . . . 0.0 112.153 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.98 -41.75 97.05 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.366 0.667 . . . . 0.0 110.954 168.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -69.36 -32.16 71.05 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 121.52 -0.737 . . . . 0.0 112.899 174.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.475 0.777 0 O-C-N 120.084 -1.635 . . . . 0.0 112.392 171.975 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.8 t . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -67.03 -32.83 74.31 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.831 -1.168 . . . . 0.0 113.232 171.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.99 -45.49 70.47 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 121.369 -0.832 . . . . 0.0 111.067 174.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -50.2 -52.43 35.74 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.084 0.554 . . . . 0.0 110.438 168.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.29 -23.8 67.58 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -68.29 -54.41 17.73 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 120.632 1.56 . . . . 0.0 112.527 174.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.0 -39.55 79.24 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.764 -0.585 . . . . 0.0 111.749 176.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.76 94.28 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 117.972 -1.014 . . . . 0.0 111.97 174.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 m -56.85 -47.39 80.47 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.988 1.267 . . . . 0.0 112.151 172.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.6 t -64.2 -45.82 86.64 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.453 1.024 . . . . 0.0 112.135 178.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.3 t -62.58 -49.56 74.78 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.598 1.159 . . . . 0.0 113.013 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -36.73 79.59 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.249 1.02 . . . . 0.0 111.959 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.51 -31.1 71.62 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 118.898 0.772 . . . . 0.0 112.26 174.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.23 -22.53 66.33 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.019 1.327 . . . . 0.0 113.079 167.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.2 t -100.53 79.76 2.14 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.02 1.328 . . . . 0.0 111.726 -177.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.4 t -55.63 -26.8 46.18 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.993 -1.067 . . . . 0.0 113.198 176.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.06 -34.85 72.43 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.043 -1.036 . . . . 0.0 113.759 171.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 51.3 mt -64.11 -48.03 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 119.04 0.836 . . . . 0.0 110.428 171.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.1 t -59.98 -47.81 84.3 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.594 -0.691 . . . . 0.0 112.597 176.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -61.56 -39.31 90.65 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 118.007 -0.997 . . . . 0.0 112.65 175.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.07 -45.7 79.24 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.804 1.184 . . . . 0.0 112.356 173.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -73.02 -32.06 64.87 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 177.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.97 -26.79 61.49 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 172.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.0 t -71.16 -42.49 69.04 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.671 1.189 . . . . 0.0 112.79 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.8 m -70.07 135.94 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 123.718 0.807 . . . . 0.0 110.815 172.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.3 p -121.31 16.71 11.44 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.523 1.529 . . . . 0.0 112.435 -178.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 t -139.14 138.26 36.84 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 127.244 2.218 . . . . 0.0 108.583 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.26 -38.45 83.56 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 119.34 -0.362 . . . . 0.0 110.79 174.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -42.71 99.57 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.835 0.854 . . . . 0.0 112.63 172.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.96 97.71 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.036 0.834 . . . . 0.0 111.896 176.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.84 -49.57 75.76 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.347 0.659 . . . . 0.0 111.773 172.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.6 m -55.5 -46.84 76.91 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 124.902 1.281 . . . . 0.0 111.722 176.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.6 m -72.02 -34.05 68.53 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 178.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.21 -52.35 65.18 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.062 -1.024 . . . . 0.0 109.577 169.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.47 -27.51 67.85 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.327 0.651 . . . . 0.0 112.52 178.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -62.94 -49.55 74.31 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.887 1.275 . . . . 0.0 111.171 167.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -61.34 -47.87 83.9 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 120.279 1.4 . . . . 0.0 112.747 175.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.6 mt -57.3 -44.79 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.318 1.047 . . . . 0.0 111.134 174.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.51 -37.98 69.04 Favored Glycine 0 C--O 1.222 -0.61 0 C-N-CA 126.035 1.779 . . . . 0.0 114.193 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.7 mt -62.66 -45.5 92.52 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.143 1.471 . . . . 0.0 110.955 172.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 t -64.74 -46.41 82.34 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.847 0.459 . . . . 0.0 111.736 176.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.46 -47.92 82.43 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.652 -0.655 . . . . 0.0 111.757 172.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.86 97.81 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.619 1.168 . . . . 0.0 113.405 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -62.18 -41.43 98.32 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.564 0.746 . . . . 0.0 112.546 172.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.8 m -65.86 -37.69 86.85 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.2 mt -79.44 -14.18 59.09 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.424 1.49 . . . . 0.0 113.41 176.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.08 29.49 45.93 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 125.217 1.389 . . . . 0.0 114.681 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 31.6 mm -65.5 130.84 31.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.537 1.535 . . . . 0.0 110.876 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.73 14.84 0.58 Allowed 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -177.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.17 63.78 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 128.544 2.737 . . . . 0.0 108.506 -175.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 48.4 p-10 -49.03 -44.3 41.33 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.298 -0.877 . . . . 0.0 112.471 173.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 t -53.93 -38.99 65.46 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.446 1.498 . . . . 0.0 113.836 172.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.48 -41.5 32.41 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.223 -0.923 . . . . 0.0 112.475 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.1 tt -59.9 -56.49 21.15 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.339 0.972 . . . . 0.0 109.721 171.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.65 -38.65 81.98 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.892 0.877 . . . . 0.0 111.6 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.17 -43.53 80.12 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 124.552 1.072 . . . . 0.0 113.445 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.86 97.8 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 118.765 1.282 . . . . 0.0 112.263 174.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.33 -41.58 85.04 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.739 1.216 . . . . 0.0 111.619 173.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.73 90.16 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.165 0.986 . . . . 0.0 111.408 173.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -59.04 -36.89 75.79 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.936 0.894 . . . . 0.0 112.627 173.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.96 -49.04 71.87 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.319 0.648 . . . . 0.0 111.763 173.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.7 t -57.29 -46.46 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.906 1.282 . . . . 0.0 112.261 175.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.66 -13.5 51.49 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.43 1.014 . . . . 0.0 114.787 171.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.29 -35.96 77.86 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 125.648 1.594 . . . . 0.0 113.645 177.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.1 t -76.6 -48.88 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-N 117.933 0.867 . . . . 0.0 111.05 173.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.92 166.3 42.06 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 124.713 1.149 . . . . 0.0 114.173 -177.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.38 148.46 37.15 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.473 1.109 . . . . 0.0 113.778 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.7 54.95 6.24 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 123.696 0.665 . . . . 0.0 113.068 177.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.35 171.62 14.01 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.407 1.483 . . . . 0.0 112.228 -177.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.3 t -63.2 146.47 53.3 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.429 0.691 . . . . 0.0 112.06 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.63 -39.98 86.1 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.707 -0.62 . . . . 0.0 111.979 171.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.5 m -61.64 -33.16 73.45 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-O 117.633 -1.175 . . . . 0.0 112.635 172.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.11 -49.4 67.66 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 121.258 1.845 . . . . 0.0 111.948 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -59.1 -47.21 86.08 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.031 0.532 . . . . 0.0 112.185 173.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.59 -27.8 65.41 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 178.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -62.23 -47.7 83.25 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.376 1.071 . . . . 0.0 109.559 169.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.15 -38.08 85.14 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.583 0.629 . . . . 0.0 112.122 176.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 80.9 mt -68.49 -48.68 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.045 0.938 . . . . 0.0 111.939 174.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.08 -37.48 87.66 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.921 0.888 . . . . 0.0 112.057 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -67.68 -40.3 84.43 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.849 1.26 . . . . 0.0 112.659 170.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.8 -47.78 61.55 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 120.356 1.434 . . . . 0.0 111.943 177.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.7 92.39 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 121.289 -0.882 . . . . 0.0 111.472 173.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.15 -51.95 53.21 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.462 1.029 . . . . 0.0 113.612 172.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -61.8 -36.47 81.22 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.513 1.657 . . . . 0.0 111.695 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -64.5 -47.22 79.72 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.33 0.652 . . . . 0.0 110.68 176.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.2 mt -69.5 -23.26 63.6 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 120.95 -1.094 . . . . 0.0 113.733 174.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.32 -47.85 63.24 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.461 1.028 . . . . 0.0 111.323 171.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 65.0 p -70.13 -29.9 66.94 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.597 0.759 . . . . 0.0 113.0 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -76.4 -5.91 49.36 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 168.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 62.54 24.89 66.49 Favored Glycine 0 CA--C 1.538 1.53 0 CA-C-N 119.509 1.05 . . . . 0.0 114.276 -177.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.1 t -79.02 -27.63 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.299 1.44 . . . . 0.0 111.474 174.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 95.3 mt -77.91 110.55 12.91 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.523 -0.735 . . . . 0.0 110.853 174.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -133.5 164.08 27.95 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.684 1.594 . . . . 0.0 111.214 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.18 -14.16 6.44 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 168.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 41.3 t -52.28 -49.75 40.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.916 1.687 . . . . 0.0 111.421 172.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 173.0 45.6 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.862 2.065 . . . . 0.0 113.641 -175.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.94 -33.4 66.97 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 119.373 -2.08 . . . . 0.0 114.609 177.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.1 t -68.58 -60.23 2.57 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.81 0.732 . . . . 0.0 111.083 167.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.42 -35.35 73.83 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 -175.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.28 -28.81 66.61 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.05 -1.031 . . . . 0.0 112.712 171.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.46 -35.06 90.49 Favored Glycine 0 CA--C 1.524 0.618 0 O-C-N 121.604 -0.685 . . . . 0.0 112.438 172.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.6 -39.47 91.33 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 117.463 0.632 . . . . 0.0 112.474 167.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.44 -43.6 96.92 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.509 1.049 . . . . 0.0 112.701 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.6 tt -70.17 -40.52 74.64 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.591 -0.693 . . . . 0.0 111.67 173.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.26 -36.15 77.12 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 120.707 -1.246 . . . . 0.0 112.861 173.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -67.37 -32.01 72.64 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 118.39 -0.814 . . . . 0.0 112.64 169.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.8 -43.4 88.83 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 120.143 1.338 . . . . 0.0 112.161 170.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 67.5 mt -66.73 -39.98 88.18 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.426 -0.796 . . . . 0.0 111.737 174.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.1 t -62.68 -42.63 99.73 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.604 1.162 . . . . 0.0 112.193 172.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -56.42 -52.38 64.87 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 118.6 -0.714 . . . . 0.0 110.477 170.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.2 m -62.85 -38.95 92.84 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 119.372 0.987 . . . . 0.0 113.519 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -71.73 -45.4 61.87 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.5 1.12 . . . . 0.0 112.683 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.58 -39.18 88.32 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.786 0.835 . . . . 0.0 111.534 173.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -62.69 -27.86 69.54 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.478 1.111 . . . . 0.0 112.707 168.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.544 0.725 0 CA-C-N 120.299 1.409 . . . . 0.0 111.841 177.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.8 p . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 m -63.81 -45.15 90.96 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.138 0.975 . . . . 0.0 112.635 174.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.37 -41.01 66.85 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.337 0.655 . . . . 0.0 111.74 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -56.83 -49.49 75.24 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.401 1.08 . . . . 0.0 110.412 171.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.28 -25.56 66.92 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 117.797 -1.097 . . . . 0.0 113.619 173.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -67.73 -52.34 38.65 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 121.204 1.82 . . . . 0.0 111.967 172.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.05 -41.39 82.12 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.36 0.982 . . . . 0.0 111.922 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.56 -51.56 68.89 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 118.427 -0.797 . . . . 0.0 110.755 175.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.3 t -57.55 -40.61 79.26 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.683 1.129 . . . . 0.0 112.182 173.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.5 t -56.65 -48.55 77.31 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.623 1.102 . . . . 0.0 111.863 176.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.1 m -72.05 -45.07 62.18 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 175.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.5 mt -62.62 -39.94 95.42 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.816 1.646 . . . . 0.0 112.359 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.11 -32.0 71.99 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.012 1.325 . . . . 0.0 112.735 173.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.65 -28.85 58.91 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.192 1.397 . . . . 0.0 112.309 170.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.3 t -86.17 77.76 9.51 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 125.461 1.504 . . . . 0.0 111.301 -174.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.2 m -53.34 -26.01 17.4 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.096 0.958 . . . . 0.0 113.572 176.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.1 -30.95 69.6 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 171.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.6 mm -76.61 -52.06 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.157 1.383 . . . . 0.0 110.054 173.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.7 m -56.82 -43.3 80.88 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.075 0.95 . . . . 0.0 112.068 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -36.13 72.22 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-O 117.76 -1.114 . . . . 0.0 112.336 175.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.67 -37.77 87.72 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.09 1.314 . . . . 0.0 111.595 175.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -68.03 -49.71 59.83 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.89 -0.506 . . . . 0.0 112.338 168.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.04 -18.49 63.4 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 120.143 1.338 . . . . 0.0 114.144 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 t -63.27 -23.43 67.42 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.051 1.74 . . . . 0.0 113.195 171.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.3 m -89.54 162.12 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 123.849 0.859 . . . . 0.0 112.001 177.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 m -124.03 4.16 8.65 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.938 1.295 . . . . 0.0 113.677 173.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 t -148.09 148.89 31.13 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.249 1.02 . . . . 0.0 111.96 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.23 -28.35 69.3 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.943 -0.473 . . . . 0.0 111.649 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -30.05 70.91 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 126.33 1.852 . . . . 0.0 113.19 172.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.11 -41.6 20.28 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.255 -0.903 . . . . 0.0 111.252 176.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.69 -38.92 92.65 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.558 170.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.9 p -65.14 -42.14 94.13 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 120.065 1.302 . . . . 0.0 110.844 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.7 t -61.45 -41.62 97.49 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.649 0.78 . . . . 0.0 112.592 171.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 mt -63.25 -52.85 60.43 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.239 0.927 . . . . 0.0 111.935 174.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.92 -34.08 69.48 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.404 1.482 . . . . 0.0 112.221 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -66.86 -53.85 28.28 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.951 0.901 . . . . 0.0 110.993 169.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -58.94 -47.94 83.26 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.473 1.509 . . . . 0.0 113.452 -177.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 pt -71.99 -25.78 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.721 1.208 . . . . 0.0 111.526 172.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.04 -41.78 99.57 Favored Glycine 0 C--N 1.335 0.528 0 C-N-CA 126.277 1.894 . . . . 0.0 112.687 172.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -57.87 -48.33 80.15 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 119.344 1.572 . . . . 0.0 110.887 169.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.3 m -62.69 -41.48 99.13 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.504 1.047 . . . . 0.0 113.118 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.61 -46.7 75.03 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.456 -0.777 . . . . 0.0 111.646 175.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.98 92.53 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.772 1.229 . . . . 0.0 112.138 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -62.53 -46.97 85.94 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.075 1.35 . . . . 0.0 112.257 172.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.3 m -61.17 -30.29 70.31 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.8 mt -95.97 6.71 48.23 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.526 1.531 . . . . 0.0 113.187 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 54.48 34.1 54.58 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 125.988 1.756 . . . . 0.0 115.355 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 50.3 mm -60.04 136.72 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 125.326 1.45 . . . . 0.0 111.233 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.27 14.88 3.23 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.025 1.33 . . . . 0.0 114.167 -177.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.93 58.86 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 127.384 2.273 . . . . 0.0 109.466 -173.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -52.79 -35.71 57.08 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 120.908 -1.12 . . . . 0.0 111.789 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.1 t -55.81 -44.96 78.34 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.927 1.691 . . . . 0.0 113.684 172.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.85 -40.54 63.21 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.319 -0.863 . . . . 0.0 111.537 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.49 -42.35 68.18 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 118.679 -0.677 . . . . 0.0 111.694 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.01 -41.21 67.73 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.806 1.243 . . . . 0.0 111.806 168.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -63.99 -34.06 88.93 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 124.768 1.175 . . . . 0.0 114.017 172.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.81 -45.56 89.07 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.268 1.534 . . . . 0.0 111.942 175.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -37.81 78.16 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.438 -0.789 . . . . 0.0 110.466 177.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.57 -43.0 99.66 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.886 0.875 . . . . 0.0 113.024 174.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -64.36 -37.0 85.97 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.947 1.299 . . . . 0.0 112.772 173.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.44 -52.52 45.54 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.803 0.841 . . . . 0.0 112.391 177.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.8 t -58.99 -48.61 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 C-N-CA 126.076 1.75 . . . . 0.0 111.813 175.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.85 -5.61 47.17 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.912 1.244 . . . . 0.0 114.279 173.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.44 -42.5 4.23 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 125.78 1.657 . . . . 0.0 112.351 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.1 t -72.16 -49.56 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 117.914 0.857 . . . . 0.0 111.489 172.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.55 166.99 28.6 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.683 1.135 . . . . 0.0 114.362 -177.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.91 157.76 31.15 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -176.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.75 -1.74 36.37 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.855 1.216 . . . . 0.0 114.371 -173.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.96 164.38 20.07 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.885 1.274 . . . . 0.0 112.454 173.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.9 t -66.64 148.91 51.25 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.02 0.528 . . . . 0.0 112.175 177.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.7 -28.44 68.64 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 170.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.9 m -66.11 -36.39 83.04 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.307 0.958 . . . . 0.0 112.387 171.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.48 -42.79 78.2 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.668 0.667 . . . . 0.0 111.433 174.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -63.45 -47.42 81.93 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.708 0.686 . . . . 0.0 112.537 171.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.12 -47.06 84.43 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.887 0.875 . . . . 0.0 111.664 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -62.74 -46.7 86.85 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 119.459 1.027 . . . . 0.0 111.959 172.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.09 -50.77 72.33 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 120.072 1.306 . . . . 0.0 111.107 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 75.8 mt -65.45 -46.16 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 124.404 1.081 . . . . 0.0 110.715 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.3 -26.99 66.8 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.255 0.934 . . . . 0.0 113.247 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -76.05 -39.0 56.47 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.373 1.069 . . . . 0.0 112.182 168.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.76 -50.46 35.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 121.037 1.744 . . . . 0.0 111.423 176.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.13 -43.81 92.02 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.836 1.254 . . . . 0.0 111.97 170.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -66.07 -44.46 91.31 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-O 118.989 -0.895 . . . . 0.0 113.007 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -62.5 -39.9 94.99 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.246 1.523 . . . . 0.0 111.715 171.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -64.06 -50.91 66.5 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.032 0.833 . . . . 0.0 111.047 177.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.6 mt -67.46 -29.09 68.45 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 120.468 -1.395 . . . . 0.0 112.767 177.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.33 -48.27 78.69 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.997 0.919 . . . . 0.0 112.398 169.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.1 p -69.65 -29.11 66.51 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.108 0.867 . . . . 0.0 113.035 176.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -72.23 -8.15 53.21 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 168.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 63.59 17.02 59.54 Favored Glycine 0 CA--C 1.538 1.477 0 O-C-N 121.029 -1.045 . . . . 0.0 114.119 -174.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.3 t -67.96 -27.61 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.935 1.294 . . . . 0.0 110.866 171.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.4 mt -92.17 133.08 36.12 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.223 1.009 . . . . 0.0 111.097 176.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -141.89 153.1 44.18 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.996 1.718 . . . . 0.0 109.775 -177.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.5 -14.04 7.0 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 174.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 49.6 t -48.67 -52.77 8.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 126.711 2.004 . . . . 0.0 111.938 170.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -172.66 30.0 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.552 1.541 . . . . 0.0 113.958 -176.348 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -50.68 -35.32 30.35 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.31 -1.494 . . . . 0.0 113.402 174.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.3 t -54.93 -64.01 0.97 Allowed 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 122.905 0.482 . . . . 0.0 110.928 170.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 44.2 m -60.32 -31.98 70.8 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 81.3 mt -62.96 -25.72 68.49 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.474 1.033 . . . . 0.0 112.885 171.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.07 -44.01 94.89 Favored Glycine 0 N--CA 1.466 0.694 0 C-N-CA 124.067 0.841 . . . . 0.0 112.986 169.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -36.35 82.54 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 172.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.84 98.75 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 119.042 0.837 . . . . 0.0 112.632 176.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.1 tt -70.8 -35.79 72.69 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.32 -0.863 . . . . 0.0 112.962 173.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.03 -36.26 83.81 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.139 -0.976 . . . . 0.0 112.687 173.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -64.54 -36.44 84.23 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.652 0.66 . . . . 0.0 111.459 169.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.77 -52.89 63.16 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.612 0.642 . . . . 0.0 111.243 172.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 68.1 mt -59.16 -35.64 73.88 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.132 0.878 . . . . 0.0 112.903 173.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.3 t -59.26 -49.73 76.7 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.099 0.96 . . . . 0.0 111.939 172.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -42.13 93.38 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 122.979 0.512 . . . . 0.0 112.23 171.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.1 m -65.73 -42.6 90.81 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -75.26 -34.72 61.4 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.163 0.985 . . . . 0.0 112.671 176.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.81 -38.05 89.67 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.377 -0.827 . . . . 0.0 111.135 168.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -64.13 -27.1 68.85 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.688 1.195 . . . . 0.0 113.211 170.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.7 m . . . . . 0 N--CA 1.476 0.856 0 CA-C-N 121.318 1.872 . . . . 0.0 112.581 173.286 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 m . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 121.226 0.536 . . . . 0.0 112.082 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -73.08 -33.54 65.69 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.2 p -64.33 -43.34 94.95 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.755 0.707 . . . . 0.0 112.535 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 m -65.25 -34.53 78.58 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 173.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.51 -46.11 60.58 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.362 0.665 . . . . 0.0 112.016 176.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -55.1 -48.46 73.54 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.34 1.056 . . . . 0.0 111.086 170.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.0 -28.94 69.85 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 175.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -65.88 -52.05 53.46 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 121.003 1.729 . . . . 0.0 111.797 172.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.49 -44.22 79.03 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.537 -0.727 . . . . 0.0 112.315 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.06 -48.74 77.81 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 123.312 0.645 . . . . 0.0 111.113 172.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.4 t -62.19 -41.16 98.09 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 118.338 -0.839 . . . . 0.0 111.918 176.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.4 t -54.46 -46.82 73.4 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.818 1.19 . . . . 0.0 112.132 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.7 m -75.0 -39.37 61.26 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 174.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.8 mt -68.0 -32.85 73.54 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.94 1.246 . . . . 0.0 112.65 177.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.2 -32.28 64.7 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.155 0.982 . . . . 0.0 113.194 173.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.06 -12.42 59.32 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 118.871 0.76 . . . . 0.0 112.606 172.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.2 t -88.52 83.69 6.8 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.776 1.231 . . . . 0.0 111.95 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.3 m -53.99 -26.75 27.53 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 172.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.66 -36.26 83.15 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.403 1.002 . . . . 0.0 113.217 172.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.3 mm -72.52 -41.19 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.593 0.757 . . . . 0.0 110.367 174.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -59.39 -45.36 91.67 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.46 -0.775 . . . . 0.0 111.344 173.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.58 -38.98 93.2 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 117.872 -1.061 . . . . 0.0 113.624 172.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.4 -49.82 69.02 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 119.984 1.265 . . . . 0.0 112.019 171.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -72.21 -29.35 63.88 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.01 -26.86 39.67 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.486 1.039 . . . . 0.0 113.305 175.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.6 t -65.5 -48.38 72.79 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.762 0.825 . . . . 0.0 112.672 177.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.2 m -66.75 146.39 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 123.447 0.699 . . . . 0.0 112.093 173.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.64 13.78 5.41 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.3 1.04 . . . . 0.0 113.518 -177.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.1 m -140.17 139.13 35.65 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.828 1.651 . . . . 0.0 109.654 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.86 -31.31 69.65 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 178.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.3 m -73.44 -30.49 63.24 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 172.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.27 -40.04 67.93 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.154 -0.966 . . . . 0.0 110.198 171.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.4 -45.81 82.54 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.58 0.752 . . . . 0.0 112.697 174.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.1 p -65.5 -37.09 85.77 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.433 -0.792 . . . . 0.0 111.79 175.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.6 t -68.45 -37.97 80.71 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.507 1.049 . . . . 0.0 113.642 173.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.537 HD22 ' HH ' ' A' ' 124' ' ' TYR . 0.2 OUTLIER -61.31 -47.05 87.7 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 120.119 1.327 . . . . 0.0 110.186 169.612 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.38 -30.41 71.55 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.045 0.938 . . . . 0.0 112.544 177.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -68.85 -53.32 22.01 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.096 0.558 . . . . 0.0 110.866 170.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -59.59 -51.64 68.97 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.395 0.998 . . . . 0.0 112.733 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 2.3 pp -65.35 -29.31 46.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 118.584 0.629 . . . . 0.0 112.432 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.33 -40.41 55.26 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 124.867 1.223 . . . . 0.0 113.546 175.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 73.1 mt -60.6 -44.43 96.28 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.482 1.641 . . . . 0.0 111.267 171.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.8 m -61.23 -49.07 78.61 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.317 1.047 . . . . 0.0 111.859 175.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.12 -44.84 95.76 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.716 -0.615 . . . . 0.0 112.378 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.08 -41.94 97.57 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.091 1.356 . . . . 0.0 112.271 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.2 mtp85 -66.0 -42.55 89.59 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.598 0.759 . . . . 0.0 112.719 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.7 m -63.5 -34.46 77.82 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 173.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.3 mt -86.32 -14.32 43.95 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.685 1.194 . . . . 0.0 113.686 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.44 22.78 33.36 Favored Glycine 0 CA--C 1.54 1.651 0 C-N-CA 125.141 1.353 . . . . 0.0 116.433 172.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.4 mp -66.62 134.73 29.63 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 C-N-CA 125.487 1.515 . . . . 0.0 111.11 -174.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.92 0.89 22.42 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.3 t -149.99 57.81 0.97 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.537 1.135 . . . . 0.0 110.409 -174.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -52.76 -43.28 65.7 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 120.906 -1.121 . . . . 0.0 112.327 -172.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.3 p -59.46 -30.87 68.82 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.544 1.938 . . . . 0.0 114.122 175.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.05 -42.48 23.64 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.04 0.836 . . . . 0.0 112.421 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.6 tt -66.77 -49.52 65.65 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.568 1.076 . . . . 0.0 110.789 175.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.31 -34.56 75.44 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.321 0.648 . . . . 0.0 112.668 175.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -65.06 -40.61 97.13 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 124.934 1.254 . . . . 0.0 113.361 172.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.77 94.94 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 118.613 1.207 . . . . 0.0 112.198 169.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.8 mt -65.44 -37.03 85.68 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 120.011 1.278 . . . . 0.0 112.679 173.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.85 -49.56 77.0 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.992 0.917 . . . . 0.0 110.766 173.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -65.14 -32.07 73.58 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.49 -51.42 63.07 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.543 1.065 . . . . 0.0 112.183 176.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.7 t -66.84 -42.1 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.137 0.975 . . . . 0.0 111.374 177.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.55 -21.78 65.14 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 123.378 0.513 . . . . 0.0 114.314 171.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.99 -34.67 82.44 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.135 1.35 . . . . 0.0 114.239 177.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.4 t -84.42 -37.07 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 117.874 0.837 . . . . 0.0 110.662 168.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.08 172.19 30.05 Favored Glycine 0 CA--C 1.542 1.725 0 C-N-CA 123.718 0.675 . . . . 0.0 113.852 -174.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.06 156.19 18.56 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 -176.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.61 51.23 8.37 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 123.944 0.783 . . . . 0.0 113.408 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -137.65 164.16 29.49 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.901 1.281 . . . . 0.0 113.378 -176.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.0 t -62.08 146.26 50.89 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.268 1.027 . . . . 0.0 112.814 177.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.23 -32.67 62.47 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 167.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.3 t -65.33 -38.83 91.35 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.54 0.609 . . . . 0.0 112.437 174.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.17 -48.38 73.68 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.362 -0.836 . . . . 0.0 112.082 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -66.3 -43.63 85.74 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.737 -0.602 . . . . 0.0 112.049 175.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.69 98.21 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.588 0.755 . . . . 0.0 112.37 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -65.5 -41.93 92.67 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 118.583 -0.722 . . . . 0.0 111.3 174.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.38 86.15 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.385 0.993 . . . . 0.0 112.381 175.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 68.7 mt -60.24 -49.11 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 123.502 0.721 . . . . 0.0 110.811 174.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.04 -28.31 67.29 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.505 -0.759 . . . . 0.0 112.672 -178.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.56 -35.22 60.69 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 120.21 1.368 . . . . 0.0 112.291 170.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.83 -47.49 25.42 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.098 0.863 . . . . 0.0 112.819 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.54 -47.56 69.89 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.071 0.549 . . . . 0.0 110.329 161.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -51.76 -49.44 47.41 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 124.208 0.909 . . . . 0.0 113.809 177.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -59.3 -43.98 92.56 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.558 1.179 . . . . 0.0 111.711 173.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -66.16 -46.21 78.22 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 118.83 0.741 . . . . 0.0 112.848 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.6 mp -69.74 -28.08 65.49 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.942 1.297 . . . . 0.0 111.588 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.3 -47.04 71.79 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.417 1.008 . . . . 0.0 111.873 169.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.2 p -67.13 -25.17 66.05 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.69 1.132 . . . . 0.0 113.203 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -78.45 -11.17 59.94 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.831 1.196 . . . . 0.0 113.852 169.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.76 12.94 71.39 Favored Glycine 0 CA--C 1.537 1.41 0 CA-C-N 119.06 0.845 . . . . 0.0 114.748 -173.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.4 t -65.48 -34.0 67.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.637 1.175 . . . . 0.0 111.317 172.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.3 mt -78.81 121.18 24.47 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.748 -0.595 . . . . 0.0 111.181 173.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 34.4 p30 -150.96 158.97 44.81 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.709 2.004 . . . . 0.0 111.818 -173.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.06 -10.84 24.53 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 120.656 -1.277 . . . . 0.0 114.432 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 36.4 t -56.61 -50.19 74.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.756 1.222 . . . . 0.0 111.673 171.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -174.91 36.31 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -177.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -49.66 -32.87 14.12 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.578 -1.326 . . . . 0.0 114.145 173.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.4 t -59.72 -66.31 0.54 Allowed 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 122.768 0.427 . . . . 0.0 111.556 168.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.3 m -58.57 -27.99 65.13 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -176.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.4 -21.95 66.8 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.742 1.156 . . . . 0.0 113.469 172.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.95 -43.32 93.88 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 124.26 0.933 . . . . 0.0 112.651 169.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.4 m -59.63 -41.5 90.6 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 118.152 0.976 . . . . 0.0 111.728 167.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.58 99.24 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.414 1.006 . . . . 0.0 112.686 177.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.89 -47.95 75.98 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.095 0.861 . . . . 0.0 111.289 172.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.08 -33.44 67.29 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.677 1.126 . . . . 0.0 113.123 176.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -67.25 -41.34 85.75 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 119.227 0.921 . . . . 0.0 112.225 171.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.07 87.96 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.116 0.871 . . . . 0.0 112.7 171.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 56.1 mt -62.54 -37.46 86.18 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.534 0.734 . . . . 0.0 111.733 173.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 32.4 t -65.55 -45.09 84.74 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.021 0.928 . . . . 0.0 111.775 176.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -55.16 -46.91 75.77 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.536 0.607 . . . . 0.0 111.062 170.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 59.8 m -62.42 -41.41 98.67 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 176.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -75.19 -34.0 61.48 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.76 1.164 . . . . 0.0 113.167 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.09 -41.77 94.67 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 118.597 0.635 . . . . 0.0 111.223 165.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -58.37 -27.31 64.11 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.47 1.108 . . . . 0.0 113.457 172.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.0 m -57.69 -20.76 36.25 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 121.101 1.773 . . . . 0.0 114.058 171.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -74.01 -12.71 60.71 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 170.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 78.5 t -59.6 -43.05 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 CA-C-N 119.77 1.168 . . . . 0.0 110.896 169.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.0 m -68.62 -23.44 64.44 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.985 0.914 . . . . 0.0 113.293 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 49.87 34.58 22.8 Favored Glycine 0 CA--C 1.538 1.51 0 C-N-CA 126.055 1.788 . . . . 0.0 116.238 173.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -147.79 -33.0 0.26 Allowed 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 177.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.537 ' HH ' HD22 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -66.04 -27.81 68.38 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 179.565 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.37 38.39 0.11 Allowed 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 125.756 1.622 . . . . 0.0 112.862 173.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 75.84 -37.26 1.25 Allowed Glycine 0 CA--C 1.538 1.485 0 C-N-CA 127.304 2.383 . . . . 0.0 115.225 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 63.31 147.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 129.722 3.209 . . . . 0.0 114.981 -174.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -154.82 167.38 30.43 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.054 1.741 . . . . 0.0 111.669 178.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -139.58 31.35 2.08 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.369 1.467 . . . . 0.0 112.336 -178.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 . . . . . 0 C--O 1.248 0.981 0 C-N-CA 128.0 2.52 . . . . 0.0 110.597 178.459 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -78.61 -42.75 28.07 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.574 0.75 . . . . 0.0 112.29 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.8 p -65.1 -43.58 91.61 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.491 0.716 . . . . 0.0 112.088 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 m -64.59 -38.15 90.01 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.579 0.751 . . . . 0.0 112.859 174.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.47 -44.9 66.81 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.94 0.791 . . . . 0.0 112.102 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.41 ' CD1' HD21 ' A' ' 95' ' ' LEU . 58.5 t80 -58.37 -50.95 71.84 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.995 0.918 . . . . 0.0 110.691 172.186 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.59 -28.29 69.78 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 118.09 -0.957 . . . . 0.0 113.249 175.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -66.56 -54.42 23.82 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 121.169 1.804 . . . . 0.0 112.174 172.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.28 -38.53 85.21 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.719 -0.613 . . . . 0.0 111.792 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.77 -52.28 65.78 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 118.441 -0.79 . . . . 0.0 110.985 172.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.2 m -56.02 -41.08 74.39 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.257 0.935 . . . . 0.0 112.473 175.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.3 t -66.47 -50.33 63.66 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.193 0.906 . . . . 0.0 112.115 176.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.6 m -72.2 -15.75 61.95 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 pp -96.42 -28.1 14.6 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.403 1.001 . . . . 0.0 112.468 170.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.7 -30.7 71.72 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.734 1.152 . . . . 0.0 111.817 174.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.1 p -78.45 1.82 20.92 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.812 1.245 . . . . 0.0 113.936 169.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.1 m -109.84 76.17 0.98 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.117 1.767 . . . . 0.0 110.832 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.5 m -52.07 -26.35 10.79 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 176.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.2 -37.57 87.74 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 171.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.3 mt -64.6 -50.94 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.879 0.872 . . . . 0.0 109.449 172.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.0 m -60.42 -41.75 94.59 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -64.88 -42.63 94.65 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 117.724 -1.132 . . . . 0.0 112.711 172.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.6 -37.96 74.11 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 120.212 1.369 . . . . 0.0 112.017 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -75.17 -31.97 61.13 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 173.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.51 -28.65 52.17 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.52 1.055 . . . . 0.0 113.397 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.1 m -67.09 -33.18 74.93 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.447 1.499 . . . . 0.0 113.273 174.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.3 m -86.41 120.57 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 123.744 0.818 . . . . 0.0 111.548 175.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.3 m -124.69 30.27 6.0 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.609 1.564 . . . . 0.0 111.881 -178.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -144.84 137.66 26.49 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 126.985 2.114 . . . . 0.0 109.323 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.0 -35.6 77.27 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.1 m -68.25 -40.51 81.92 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 171.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.66 -44.78 85.3 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.762 0.71 . . . . 0.0 111.101 175.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.6 -38.63 84.28 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.547 1.139 . . . . 0.0 112.295 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 t -52.92 -55.31 24.27 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.888 1.275 . . . . 0.0 110.768 166.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.8 t -63.48 -27.76 69.5 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 176.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.62 -54.91 13.55 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 120.839 -1.163 . . . . 0.0 110.482 174.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.45 -26.72 68.86 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.308 0.643 . . . . 0.0 112.478 173.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -65.27 -52.37 54.71 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 123.58 0.752 . . . . 0.0 110.743 168.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -64.97 -44.83 88.06 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 120.849 1.658 . . . . 0.0 113.019 177.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.6 mt -60.94 -47.3 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 124.033 0.933 . . . . 0.0 110.83 175.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.48 -38.71 95.1 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-O 118.698 -1.057 . . . . 0.0 113.397 176.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.73 -43.01 97.79 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 119.259 1.53 . . . . 0.0 111.747 175.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.8 t -71.93 -34.31 68.94 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.406 1.003 . . . . 0.0 111.905 -179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.78 -50.06 70.51 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.181 -0.949 . . . . 0.0 111.374 167.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.11 -47.79 82.18 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.734 1.214 . . . . 0.0 112.998 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 ptm85 -67.53 -38.67 84.58 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.404 0.682 . . . . 0.0 112.437 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.5 m -68.68 -27.83 66.32 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.987 0.915 . . . . 0.0 113.221 174.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.1 mt -90.18 -2.37 58.05 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.341 1.457 . . . . 0.0 113.375 171.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.69 30.28 76.98 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.406 1.479 . . . . 0.0 115.628 177.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.6 mm -56.6 135.09 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.986 1.315 . . . . 0.0 111.516 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.7 15.87 0.96 Allowed 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -175.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 m -173.26 65.21 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 129.104 2.962 . . . . 0.0 108.569 -176.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -54.59 -39.81 68.21 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.971 -1.081 . . . . 0.0 111.366 -178.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.3 t -54.82 -34.46 62.81 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.496 1.919 . . . . 0.0 114.397 172.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.03 -41.42 35.72 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.061 -1.025 . . . . 0.0 112.172 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.34 -55.82 18.62 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 118.418 0.553 . . . . 0.0 110.022 175.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.73 -38.25 77.98 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.993 1.317 . . . . 0.0 112.89 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.27 -42.47 75.0 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 124.393 0.997 . . . . 0.0 113.19 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.45 -37.93 88.34 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.818 1.309 . . . . 0.0 112.221 172.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 72.6 mt -64.7 -39.87 94.4 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.215 -0.928 . . . . 0.0 112.688 171.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.13 -43.32 98.71 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.528 1.131 . . . . 0.0 112.407 173.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -61.64 -36.97 82.3 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.891 1.276 . . . . 0.0 112.392 172.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.25 -49.17 70.67 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.538 0.735 . . . . 0.0 112.182 176.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -61.91 -45.67 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 123.624 0.769 . . . . 0.0 112.296 174.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.38 -15.2 51.53 Favored Glycine 0 CA--C 1.54 1.654 0 C-N-CA 123.857 0.741 . . . . 0.0 114.159 172.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -79.17 -32.15 40.17 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.569 1.557 . . . . 0.0 113.76 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.9 t -75.12 -50.41 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 118.511 1.155 . . . . 0.0 111.029 174.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 131.22 -159.6 23.13 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.672 1.129 . . . . 0.0 113.86 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -113.13 144.05 43.31 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.959 1.304 . . . . 0.0 111.469 173.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.44 14.28 82.12 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 124.072 0.844 . . . . 0.0 115.003 -177.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.71 174.72 6.43 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 118.619 1.209 . . . . 0.0 112.57 174.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.3 t -66.12 145.22 56.08 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.065 -1.022 . . . . 0.0 111.639 172.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.05 -43.45 40.84 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.848 0.859 . . . . 0.0 112.432 168.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.6 t -64.28 -29.19 70.29 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 177.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.43 -45.01 61.57 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 120.803 -1.186 . . . . 0.0 112.286 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -60.41 -45.35 93.92 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.253 0.621 . . . . 0.0 111.833 170.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.26 -41.9 98.86 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 123.109 0.564 . . . . 0.0 112.424 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -67.21 -39.51 86.32 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.698 0.681 . . . . 0.0 111.07 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.41 -45.42 84.62 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.36 0.982 . . . . 0.0 112.057 172.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 60.7 mt -72.11 -46.19 59.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 123.637 0.775 . . . . 0.0 111.88 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.52 -37.22 86.81 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.323 0.965 . . . . 0.0 112.096 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -72.47 -42.64 64.72 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 117.451 -1.261 . . . . 0.0 112.252 170.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.96 -45.87 83.91 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 121.185 1.811 . . . . 0.0 112.38 178.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.36 99.01 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.187 0.995 . . . . 0.0 111.98 170.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.91 -45.64 93.61 Favored Glycine 0 CA--C 1.526 0.76 0 C-N-CA 123.704 0.668 . . . . 0.0 113.183 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -62.78 -38.89 92.41 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.145 1.378 . . . . 0.0 111.523 171.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -62.31 -49.17 76.69 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.154 0.888 . . . . 0.0 111.197 173.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.6 mt -68.3 -22.9 64.69 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.507 -1.371 . . . . 0.0 113.375 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.79 -50.95 61.02 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 119.518 1.054 . . . . 0.0 111.521 167.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.2 p -71.15 -29.13 64.84 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -73.68 -9.36 58.59 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 167.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 67.36 19.58 70.7 Favored Glycine 0 CA--C 1.538 1.501 0 O-C-N 121.102 -0.999 . . . . 0.0 114.422 -176.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.2 t -73.75 -27.02 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.974 1.309 . . . . 0.0 111.487 173.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.41 HD21 ' CD1' ' A' ' 7' ' ' PHE . 70.3 mt -75.11 127.23 32.73 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.756 0.707 . . . . 0.0 111.652 169.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -141.58 143.51 33.75 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.365 1.866 . . . . 0.0 108.859 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.48 -15.39 6.82 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 41.6 t -49.34 -45.71 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 126.415 1.886 . . . . 0.0 112.066 167.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -165.81 26.41 0.05 OUTLIER 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -175.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -51.03 -37.8 47.51 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 120.154 -1.591 . . . . 0.0 113.377 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.47 -64.09 1.06 Allowed 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 123.473 0.709 . . . . 0.0 111.063 168.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.2 t -60.03 -29.04 68.24 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -174.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 66.8 mt -62.59 -23.68 67.16 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 120.242 -1.536 . . . . 0.0 113.431 169.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.33 -41.96 99.65 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 124.099 0.857 . . . . 0.0 112.192 168.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.0 t -61.73 -44.25 97.28 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 117.459 0.63 . . . . 0.0 111.431 169.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.86 -46.26 85.06 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.277 0.944 . . . . 0.0 113.483 178.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.75 -44.27 70.55 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.499 -0.75 . . . . 0.0 111.168 175.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.97 -33.62 72.19 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 120.608 -1.307 . . . . 0.0 113.452 175.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -66.84 -39.41 87.62 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.072 0.851 . . . . 0.0 111.432 171.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.46 -53.23 60.65 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.646 0.657 . . . . 0.0 111.23 170.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 57.2 mt -60.85 -31.29 70.74 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.01 0.924 . . . . 0.0 113.154 176.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 32.7 t -68.85 -45.53 70.84 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.292 1.037 . . . . 0.0 111.89 175.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -57.61 -41.94 82.26 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.333 0.515 . . . . 0.0 111.311 167.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.0 m -61.63 -42.32 98.73 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 175.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -71.66 -42.14 67.88 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.315 1.046 . . . . 0.0 112.322 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.42 -39.63 88.1 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.565 0.746 . . . . 0.0 111.74 171.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -69.55 -36.19 76.11 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.823 0.849 . . . . 0.0 113.107 171.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.6 t -56.99 -46.22 82.4 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.035 -1.041 . . . . 0.0 110.737 173.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.01 -13.43 16.37 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 170.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.23 -23.31 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.993 1.317 . . . . 0.0 112.84 174.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 24.9 t -68.02 -17.13 64.32 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.028 1.331 . . . . 0.0 114.069 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 74.03 -30.88 0.94 Allowed Glycine 0 N--CA 1.478 1.499 0 C-N-CA 125.402 1.477 . . . . 0.0 114.192 -176.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -58.04 -15.6 9.82 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.042 1.337 . . . . 0.0 113.482 168.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -55.33 -34.39 64.18 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.496 1.119 . . . . 0.0 113.981 173.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.45 8.93 44.23 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.336 1.054 . . . . 0.0 113.088 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 66.08 54.35 24.84 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 123.817 0.722 . . . . 0.0 112.549 -175.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 9.8 p -44.6 144.48 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 125.972 1.709 . . . . 0.0 113.388 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 44.5 m 59.93 65.81 1.06 Allowed 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.947 1.699 . . . . 0.0 113.205 -167.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -91.6 40.72 1.04 Allowed 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 124.891 1.276 . . . . 0.0 113.522 -177.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 42.2 t30 . . . . . 0 C--O 1.254 1.321 0 O-C-N 120.793 -1.192 . . . . 0.0 112.521 -179.363 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 CA--C 1.547 0.843 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -133.88 -50.14 0.83 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.571 1.549 . . . . 0.0 110.194 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.2 m -65.75 -40.26 91.9 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.603 1.161 . . . . 0.0 112.257 174.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -65.26 -35.36 80.8 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.583 0.753 . . . . 0.0 112.049 174.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.5 -43.54 69.48 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.648 0.779 . . . . 0.0 111.513 177.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -56.87 -48.31 78.42 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.127 0.971 . . . . 0.0 110.832 170.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.18 -33.5 74.64 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 174.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -61.74 -53.22 58.93 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 120.623 1.556 . . . . 0.0 112.265 176.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.46 -41.23 80.53 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.817 0.735 . . . . 0.0 112.07 178.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.61 -51.66 68.86 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 119.281 -0.39 . . . . 0.0 111.326 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.2 m -62.29 -34.09 75.91 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 118.073 -0.965 . . . . 0.0 113.015 173.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 m -58.24 -46.41 86.0 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 120.788 1.631 . . . . 0.0 112.037 171.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.8 t -70.44 -52.14 24.37 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.337 0.517 . . . . 0.0 111.489 174.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.8 mt -61.34 -32.4 72.28 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 120.393 -1.442 . . . . 0.0 113.387 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.53 -25.7 61.48 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.504 1.122 . . . . 0.0 113.656 172.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.97 -20.32 27.46 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.176 0.991 . . . . 0.0 112.389 173.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.8 m -88.86 80.35 7.16 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.301 1.841 . . . . 0.0 111.845 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.8 m -54.39 -26.83 32.56 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 120.766 -1.209 . . . . 0.0 114.018 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.52 -27.98 51.98 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.052 1.131 . . . . 0.0 114.052 172.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 26.3 mm -73.64 -45.29 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.879 1.271 . . . . 0.0 110.574 175.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.8 t -56.61 -44.64 81.36 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 123.159 0.584 . . . . 0.0 111.289 171.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -62.02 -44.36 96.88 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.971 1.308 . . . . 0.0 112.679 176.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.66 95.95 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 118.98 0.809 . . . . 0.0 112.429 174.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -79.05 -22.16 45.76 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 177.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.3 -23.86 27.94 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.815 1.246 . . . . 0.0 112.89 174.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.8 t -56.09 -44.68 79.26 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.098 0.959 . . . . 0.0 111.576 168.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.9 m -83.43 144.98 9.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 123.827 0.851 . . . . 0.0 111.719 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.0 m -124.98 17.53 8.52 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.601 1.56 . . . . 0.0 112.163 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.7 t -138.01 140.16 40.01 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.243 1.417 . . . . 0.0 110.352 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.25 -43.35 98.27 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 122.844 0.457 . . . . 0.0 110.677 -177.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.4 m -60.23 -36.9 78.77 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 172.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.94 -42.32 85.5 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.281 0.946 . . . . 0.0 111.713 175.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.3 -42.8 96.18 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.139 0.575 . . . . 0.0 112.105 172.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.5 m -57.32 -48.53 78.72 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.627 1.171 . . . . 0.0 111.843 173.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.5 m -66.24 -31.44 72.27 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.931 0.893 . . . . 0.0 113.342 175.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mt -65.11 -51.74 59.53 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.715 1.143 . . . . 0.0 110.999 171.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.61 -33.47 68.26 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.345 1.058 . . . . 0.0 112.22 174.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -67.88 -51.32 49.42 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.893 0.877 . . . . 0.0 111.892 172.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -58.96 -52.34 66.18 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.555 1.142 . . . . 0.0 112.572 178.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.7 pt -69.94 -33.4 55.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 O-C-N 121.829 -0.545 . . . . 0.0 111.683 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.33 -41.77 96.45 Favored Glycine 0 CA--C 1.526 0.735 0 C-N-CA 125.13 1.348 . . . . 0.0 112.541 174.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mp -60.03 -41.96 93.35 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.994 1.397 . . . . 0.0 112.329 171.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.3 t -64.05 -50.16 69.5 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.739 0.7 . . . . 0.0 111.754 175.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.5 95.57 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.596 -0.69 . . . . 0.0 112.29 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.32 94.91 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.502 1.121 . . . . 0.0 112.744 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -62.25 -43.57 98.53 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.066 0.946 . . . . 0.0 111.993 171.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.8 m -64.0 -30.01 71.12 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 173.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.4 mt -93.62 5.65 50.91 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.672 1.589 . . . . 0.0 113.232 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.52 29.95 64.49 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 125.653 1.597 . . . . 0.0 115.3 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 44.3 mm -60.53 136.0 24.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.374 1.469 . . . . 0.0 111.318 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.12 11.57 2.73 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -175.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 m -175.17 68.23 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 129.044 2.938 . . . . 0.0 108.82 -176.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -51.31 -41.79 60.75 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 121.227 -0.92 . . . . 0.0 111.209 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.2 p -60.5 -29.53 69.15 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 127.915 2.486 . . . . 0.0 114.479 177.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.53 -40.94 15.76 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 119.358 0.981 . . . . 0.0 111.803 175.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -57.66 11.86 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.895 0.878 . . . . 0.0 109.721 174.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -69.17 -27.49 65.57 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.401 1.48 . . . . 0.0 112.987 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -63.87 -42.25 98.48 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 124.187 0.899 . . . . 0.0 112.486 171.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.9 -40.31 95.0 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 117.966 0.883 . . . . 0.0 111.937 170.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.2 mt -66.27 -40.48 90.15 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.82 0.737 . . . . 0.0 112.68 175.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.58 -48.86 79.89 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.218 1.007 . . . . 0.0 111.269 173.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -65.87 -28.81 69.24 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 175.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.77 -48.15 60.3 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.313 0.96 . . . . 0.0 112.123 173.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.6 t -64.71 -49.69 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.821 1.248 . . . . 0.0 112.224 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.46 -19.05 68.4 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 123.772 0.701 . . . . 0.0 113.69 173.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.23 -37.94 87.17 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.482 1.515 . . . . 0.0 113.571 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.3 t -76.4 -48.4 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 117.97 0.885 . . . . 0.0 110.837 172.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 118.43 179.16 17.06 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.232 1.396 . . . . 0.0 113.652 178.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.08 155.89 39.8 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.577 -0.955 . . . . 0.0 112.748 174.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.33 9.19 57.33 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.216 0.912 . . . . 0.0 115.022 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.99 166.32 16.06 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 118.343 1.072 . . . . 0.0 111.89 173.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 32.7 t -67.94 151.06 47.72 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.512 -0.743 . . . . 0.0 111.636 174.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.02 -40.53 67.12 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 123.374 0.67 . . . . 0.0 112.211 168.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.8 t -62.13 -36.69 82.54 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 123.347 0.659 . . . . 0.0 111.856 174.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.73 -46.38 72.33 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.654 1.116 . . . . 0.0 112.259 175.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -64.26 -47.67 78.69 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.131 0.878 . . . . 0.0 112.442 175.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.36 -42.49 98.88 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.425 1.09 . . . . 0.0 112.342 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -64.53 -44.34 91.15 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 119.397 0.999 . . . . 0.0 111.201 172.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.69 -43.59 93.98 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.293 0.951 . . . . 0.0 111.325 177.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 54.7 mt -64.76 -48.12 85.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 124.386 1.074 . . . . 0.0 111.694 171.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.82 -31.11 71.88 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.382 0.992 . . . . 0.0 112.953 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.4 mmm-85 -80.64 -36.92 31.88 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.711 1.604 . . . . 0.0 112.203 171.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.89 -52.83 25.34 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 120.447 1.476 . . . . 0.0 111.291 174.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.35 -44.62 88.85 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.555 1.142 . . . . 0.0 111.598 169.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.07 -50.77 62.17 Favored Glycine 0 CA--C 1.524 0.613 0 CA-C-O 119.172 -0.794 . . . . 0.0 112.913 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -63.17 -42.1 99.34 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.759 1.279 . . . . 0.0 111.954 174.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -63.2 -52.06 63.81 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.819 1.19 . . . . 0.0 111.166 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 38.3 mt -67.57 -26.94 66.53 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 120.391 -1.443 . . . . 0.0 112.58 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.35 -47.58 70.0 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.379 0.991 . . . . 0.0 112.591 168.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 64.1 p -69.13 -28.82 66.8 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.249 0.931 . . . . 0.0 112.859 177.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -75.52 -10.14 59.18 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 167.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 62.26 22.6 63.33 Favored Glycine 0 CA--C 1.539 1.572 0 O-C-N 121.1 -1.0 . . . . 0.0 114.344 -174.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.9 t -66.99 -37.16 78.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.775 1.23 . . . . 0.0 110.989 173.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 pp -95.31 155.52 16.7 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.567 1.147 . . . . 0.0 111.497 170.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -148.71 152.69 37.07 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.809 1.644 . . . . 0.0 108.812 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.57 -20.13 2.78 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 58.1 t -42.93 -48.54 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 127.234 2.214 . . . . 0.0 112.586 166.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -160.36 24.44 0.16 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.175 1.39 . . . . 0.0 113.409 -176.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.22 -39.41 63.74 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 120.61 -1.306 . . . . 0.0 112.68 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 14.0 p -63.49 -58.62 6.44 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 117.909 0.322 . . . . 0.0 110.77 171.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.37 -37.14 64.62 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -179.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 47.0 mt -68.23 -23.1 64.77 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 120.989 -1.069 . . . . 0.0 113.662 174.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.56 -47.04 91.13 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 123.653 0.644 . . . . 0.0 111.845 167.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.1 m -62.88 -37.33 86.45 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 117.673 0.736 . . . . 0.0 112.661 170.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.2 -47.03 84.26 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 119.735 1.152 . . . . 0.0 112.886 177.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.4 tt -66.27 -40.88 90.44 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.32 -0.863 . . . . 0.0 111.876 171.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.68 -34.81 77.89 Favored 'General case' 0 C--O 1.224 -0.25 0 O-C-N 121.423 -0.798 . . . . 0.0 112.262 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -66.31 -37.78 86.19 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.092 0.86 . . . . 0.0 111.859 170.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.35 -47.04 80.87 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.43 1.014 . . . . 0.0 112.568 174.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 73.0 mt -67.32 -33.22 74.81 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.456 -0.778 . . . . 0.0 112.174 172.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 21.0 t -64.05 -46.11 85.83 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.721 174.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.68 -33.53 70.24 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.662 1.119 . . . . 0.0 112.91 171.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.3 t -78.74 -43.06 26.54 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.535 1.134 . . . . 0.0 113.254 -177.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.56 -44.73 81.53 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.133 -0.979 . . . . 0.0 111.47 168.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.85 -27.32 66.56 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.366 1.066 . . . . 0.0 112.651 172.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.28 -54.99 24.55 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 119.736 1.153 . . . . 0.0 111.876 175.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.5 t -64.39 -41.19 96.8 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 117.738 0.244 . . . . 0.0 110.803 174.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.99 -25.8 67.13 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 174.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.98 -27.83 40.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 O-C-N 120.973 -1.079 . . . . 0.0 112.603 174.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.0 m -63.44 -19.65 64.89 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.037 0.935 . . . . 0.0 113.118 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 75.36 -44.9 1.71 Allowed Glycine 0 CA--C 1.531 1.089 0 C-N-CA 125.848 1.69 . . . . 0.0 113.193 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -63.67 3.35 0.36 Allowed 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.153 1.381 . . . . 0.0 114.611 166.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -53.29 -37.97 62.69 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.79 1.236 . . . . 0.0 113.046 174.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.18 30.77 0.45 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.471 1.509 . . . . 0.0 112.849 177.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 88.42 -48.03 3.53 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 126.391 1.948 . . . . 0.0 112.612 -173.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.4 p -160.81 150.39 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.345 1.458 . . . . 0.0 111.21 175.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.3 t -158.68 168.15 27.65 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.647 1.179 . . . . 0.0 111.713 170.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -149.48 87.86 1.53 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.814 1.645 . . . . 0.0 109.716 175.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 . . . . . 0 C--O 1.253 1.282 0 C-N-CA 126.198 1.799 . . . . 0.0 113.112 -179.564 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 m . . . . . 0 N--CA 1.472 0.648 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -127.26 57.28 1.49 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.198 1.399 . . . . 0.0 110.469 -174.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.2 p -55.62 -33.68 64.22 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.31 -0.869 . . . . 0.0 113.102 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.2 m -63.53 -39.47 94.5 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.046 0.939 . . . . 0.0 112.924 173.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.67 -42.56 58.25 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.506 0.722 . . . . 0.0 111.186 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -54.41 -49.28 70.3 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.984 0.914 . . . . 0.0 110.607 170.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.08 -22.12 66.91 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 173.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -50.37 49.34 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 121.296 1.862 . . . . 0.0 111.115 172.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.58 -38.09 67.99 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.899 0.48 . . . . 0.0 110.391 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.83 -49.84 76.2 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 117.549 -1.215 . . . . 0.0 111.391 168.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.3 m -57.1 -41.48 79.0 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 121.022 1.737 . . . . 0.0 112.837 173.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.7 t -59.81 -46.61 88.67 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.267 0.94 . . . . 0.0 111.89 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.0 m -69.54 -50.3 46.26 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 173.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.91 -36.33 81.04 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.508 1.523 . . . . 0.0 113.049 -175.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.3 -25.77 63.48 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.841 0.857 . . . . 0.0 112.997 172.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.29 -32.17 33.28 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.775 1.63 . . . . 0.0 112.289 171.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.9 m -67.13 72.19 0.1 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 127.539 2.336 . . . . 0.0 112.385 176.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.3 t -53.01 -32.57 47.36 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.407 1.083 . . . . 0.0 112.895 177.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.22 -39.85 84.01 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 170.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 60.4 mt -74.66 -46.26 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.442 1.097 . . . . 0.0 110.555 176.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.4 m -60.01 -42.6 94.67 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.828 0.74 . . . . 0.0 112.487 176.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.4 mtm-85 -70.23 -35.96 74.19 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 117.487 -1.244 . . . . 0.0 113.158 173.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -44.39 94.42 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 120.718 1.599 . . . . 0.0 111.733 171.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -66.69 -35.05 79.23 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 174.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.0 -27.6 54.73 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.233 0.924 . . . . 0.0 113.184 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.0 t -68.53 -42.28 78.71 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.476 1.51 . . . . 0.0 112.163 176.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.4 m -74.75 141.78 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-O 121.482 0.658 . . . . 0.0 112.272 174.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -127.86 18.77 6.67 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.254 1.422 . . . . 0.0 112.468 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.0 m -142.79 139.13 30.85 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.116 1.766 . . . . 0.0 110.306 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.35 -36.15 75.2 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.325 0.65 . . . . 0.0 112.219 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.96 -27.25 63.6 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 172.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.11 -42.31 60.26 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 120.827 -1.17 . . . . 0.0 110.648 174.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.61 93.71 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.987 -0.445 . . . . 0.0 111.882 169.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.3 p -64.71 -38.27 90.43 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.136 0.88 . . . . 0.0 111.765 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.1 t -63.89 -44.65 92.38 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.522 1.129 . . . . 0.0 112.534 173.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.57 -46.85 84.0 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.461 1.028 . . . . 0.0 110.763 174.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.85 -31.69 72.76 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.397 1.079 . . . . 0.0 112.548 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -72.11 -46.11 57.97 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.096 0.958 . . . . 0.0 111.51 172.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -59.71 -54.22 48.84 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.262 0.937 . . . . 0.0 112.513 175.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.8 pt -69.15 -30.09 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 O-C-N 121.672 -0.642 . . . . 0.0 111.588 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.18 -40.13 82.42 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 124.57 1.081 . . . . 0.0 112.594 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mp -58.58 -48.94 79.27 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.822 1.249 . . . . 0.0 111.126 169.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.0 t -63.84 -41.5 97.8 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 177.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.99 -48.01 75.51 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.693 0.797 . . . . 0.0 111.148 176.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.18 97.02 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.561 1.144 . . . . 0.0 112.621 177.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -63.27 -44.34 95.38 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 119.448 1.022 . . . . 0.0 112.734 171.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 t -64.44 -42.02 96.24 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.068 0.947 . . . . 0.0 112.475 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.5 mt -75.59 -27.68 58.63 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.659 1.584 . . . . 0.0 113.522 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.89 27.19 8.48 Favored Glycine 0 CA--C 1.54 1.601 0 C-N-CA 125.159 1.362 . . . . 0.0 115.531 174.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.8 mp -68.34 132.26 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 125.123 1.369 . . . . 0.0 110.4 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.76 12.23 1.13 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 126.118 1.767 . . . . 0.0 115.188 -178.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.65 52.72 0.1 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.418 1.887 . . . . 0.0 110.374 -171.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.3 p-10 -49.83 -41.88 45.91 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.996 -1.065 . . . . 0.0 113.229 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.4 p -61.43 -29.65 70.08 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.351 1.46 . . . . 0.0 114.445 174.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.37 -39.89 15.97 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.262 0.937 . . . . 0.0 112.018 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -58.27 9.19 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.319 1.047 . . . . 0.0 109.638 174.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.11 -29.38 69.69 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.305 1.042 . . . . 0.0 112.462 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -63.44 -46.87 91.59 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 123.877 0.751 . . . . 0.0 112.392 172.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.4 -40.34 96.18 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.803 -0.822 . . . . 0.0 112.131 172.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.58 -42.65 99.68 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.004 0.82 . . . . 0.0 112.35 173.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.7 -43.6 97.57 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.563 1.145 . . . . 0.0 112.011 176.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -68.92 -36.63 78.21 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 174.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.05 97.29 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.014 0.824 . . . . 0.0 112.313 173.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.5 t -60.02 -48.53 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 125.392 1.477 . . . . 0.0 111.533 172.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.31 -24.39 55.51 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 123.797 0.713 . . . . 0.0 114.147 173.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.64 -30.07 68.99 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.21 1.386 . . . . 0.0 114.479 174.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 67.5 t -79.76 -48.63 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 118.559 1.179 . . . . 0.0 111.157 175.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.42 162.55 31.43 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.577 1.084 . . . . 0.0 114.653 -176.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.55 160.07 32.2 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 -173.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.06 -10.53 9.54 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.213 1.387 . . . . 0.0 114.404 -174.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.27 160.29 16.1 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.659 1.184 . . . . 0.0 111.895 169.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.0 t -59.65 149.35 30.71 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.424 0.69 . . . . 0.0 112.261 177.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.05 -36.51 65.63 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.841 -0.537 . . . . 0.0 111.574 167.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 m -61.35 -34.54 75.45 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 172.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.62 -46.77 65.48 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 120.33 1.423 . . . . 0.0 111.811 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -63.7 -49.23 73.92 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.957 0.503 . . . . 0.0 112.307 173.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.59 -43.44 93.69 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.289 1.036 . . . . 0.0 111.698 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -62.2 -45.98 90.97 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-O 118.032 -0.985 . . . . 0.0 111.851 172.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.24 90.63 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 120.293 1.406 . . . . 0.0 112.817 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 53.8 mt -67.18 -45.46 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 123.609 0.764 . . . . 0.0 111.158 172.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.66 -34.45 77.12 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.172 0.896 . . . . 0.0 112.681 175.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -66.92 -42.62 85.06 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.022 1.729 . . . . 0.0 111.653 168.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.6 -34.72 46.55 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.055 1.298 . . . . 0.0 112.934 -174.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.29 -47.85 72.28 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.842 0.857 . . . . 0.0 110.937 164.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.25 -48.44 86.11 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 124.91 1.243 . . . . 0.0 113.668 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -63.52 -34.04 76.9 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.225 1.512 . . . . 0.0 111.799 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -65.75 -49.09 69.64 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.464 0.575 . . . . 0.0 110.207 174.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.6 mt -66.2 -24.19 66.57 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 120.999 -1.063 . . . . 0.0 113.046 173.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.77 -50.2 58.34 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 120.823 -1.173 . . . . 0.0 111.555 170.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 62.7 p -71.43 -27.29 63.18 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.451 -0.78 . . . . 0.0 113.071 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -77.1 -5.15 47.83 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 168.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 67.97 26.42 73.98 Favored Glycine 0 CA--C 1.539 1.539 0 CA-C-N 119.572 1.078 . . . . 0.0 114.379 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 40.8 t -85.99 -30.72 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.743 1.617 . . . . 0.0 111.805 175.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 24.9 mt -71.05 117.35 12.44 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.397 0.999 . . . . 0.0 110.315 169.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -137.87 151.88 48.49 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.491 1.516 . . . . 0.0 110.159 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.02 -13.73 5.22 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 173.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 41.6 t -47.81 -49.72 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 126.642 1.977 . . . . 0.0 111.879 168.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -174.93 32.94 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.529 1.531 . . . . 0.0 114.495 -176.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -49.51 -35.7 20.87 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 120.108 -1.62 . . . . 0.0 113.572 176.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.0 t -59.84 -61.81 2.34 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.361 0.665 . . . . 0.0 111.473 169.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -29.31 70.28 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -176.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.45 -28.31 69.72 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 120.796 -1.19 . . . . 0.0 112.889 170.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.45 -39.85 94.22 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 123.78 0.705 . . . . 0.0 112.43 171.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.41 -43.62 96.52 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 118.864 -0.589 . . . . 0.0 111.49 167.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.46 -46.21 89.4 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.67 1.123 . . . . 0.0 112.884 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -67.32 -44.58 78.79 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.611 -0.68 . . . . 0.0 111.792 177.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.46 -32.92 74.58 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 120.991 -1.068 . . . . 0.0 113.22 177.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -66.37 -37.76 86.03 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.992 0.815 . . . . 0.0 111.407 170.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.6 -45.94 84.8 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.936 0.789 . . . . 0.0 112.489 173.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 53.9 mt -64.39 -36.3 83.71 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.481 -0.762 . . . . 0.0 112.382 172.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 34.9 t -62.48 -42.49 99.52 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.141 0.976 . . . . 0.0 112.069 173.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.29 -47.31 78.9 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.981 0.912 . . . . 0.0 111.294 171.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 51.9 m -70.82 -30.2 66.56 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -75.41 -37.86 60.19 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.218 1.007 . . . . 0.0 112.353 174.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.82 -39.09 90.57 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.724 -0.61 . . . . 0.0 111.19 166.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -64.53 -34.07 77.37 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 170.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.0 t -58.08 -29.91 65.81 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 120.638 -1.289 . . . . 0.0 112.738 172.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -81.8 2.9 28.0 Favored 'General case' 0 CA--C 1.553 1.095 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 175.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 18.3 t -56.83 -49.54 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 CA-C-N 120.493 1.497 . . . . 0.0 112.032 174.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.4 m -92.17 2.91 56.31 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.775 1.23 . . . . 0.0 112.189 172.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 62.2 -7.49 0.2 Allowed Glycine 0 CA--C 1.54 1.645 0 C-N-CA 127.249 2.357 . . . . 0.0 116.434 -174.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 51.2 27.37 3.43 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 125.505 1.522 . . . . 0.0 113.796 -163.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -137.23 -12.17 1.64 Allowed 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 15.3 mt -93.63 27.41 2.67 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.288 1.435 . . . . 0.0 113.499 -175.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 176.63 -45.42 0.11 Allowed Glycine 0 N--CA 1.473 1.135 0 O-C-N 121.099 -1.001 . . . . 0.0 113.425 173.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 13.6 m -90.84 145.13 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 124.788 1.235 . . . . 0.0 110.375 167.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 73.7 m 28.68 71.23 0.06 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 127.922 2.489 . . . . 0.0 115.862 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -60.75 93.37 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.4 1.48 . . . . 0.0 111.966 174.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 51.3 t30 . . . . . 0 C--O 1.251 1.158 0 C-N-CA 125.326 1.451 . . . . 0.0 112.291 -178.9 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.473 0.696 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 57.65 -61.48 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 128.585 2.754 . . . . 0.0 114.99 178.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.9 t -62.2 -42.01 98.89 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.596 1.559 . . . . 0.0 112.267 170.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -69.63 -35.8 75.57 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 121.128 -0.982 . . . . 0.0 112.426 175.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.24 -48.49 75.57 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.728 0.811 . . . . 0.0 111.089 174.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -56.26 -49.41 74.27 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.54 1.536 . . . . 0.0 111.22 172.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.63 -19.17 63.52 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.333 1.235 . . . . 0.0 114.333 172.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -54.77 7.08 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 120.912 1.687 . . . . 0.0 111.533 174.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.2 -37.54 81.01 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.265 -0.897 . . . . 0.0 111.719 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.3 -51.69 68.46 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 117.785 -1.102 . . . . 0.0 110.383 172.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.2 t -55.47 -42.83 74.89 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 120.78 1.627 . . . . 0.0 112.352 173.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.6 t -58.18 -43.59 87.6 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.141 0.882 . . . . 0.0 112.486 177.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.7 t -75.82 -48.1 22.97 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.068 0.947 . . . . 0.0 112.531 176.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.9 mt -58.94 -36.5 74.88 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.994 1.717 . . . . 0.0 112.209 178.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.17 -16.88 62.55 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.378 1.471 . . . . 0.0 114.26 173.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.3 p -107.58 0.94 22.93 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.194 1.397 . . . . 0.0 112.355 173.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.6 m -89.06 74.53 8.07 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 126.547 1.939 . . . . 0.0 110.963 174.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.2 m -53.15 -29.86 33.7 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.68 94.7 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.167 0.894 . . . . 0.0 113.104 171.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.8 mt -69.68 -46.65 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 124.039 0.936 . . . . 0.0 109.933 175.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.8 m -60.07 -41.18 91.84 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -40.22 75.65 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 117.587 -1.197 . . . . 0.0 113.075 173.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.88 -44.15 94.36 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 120.388 1.449 . . . . 0.0 111.411 174.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -72.92 -30.75 64.14 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 176.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.98 -26.28 43.37 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 119.548 1.067 . . . . 0.0 113.008 172.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.3 t -65.73 -42.24 91.26 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.441 1.496 . . . . 0.0 111.855 174.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.8 m -75.94 140.06 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 121.412 0.625 . . . . 0.0 111.601 173.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.0 m -126.6 19.1 7.37 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.301 1.44 . . . . 0.0 112.279 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.9 t -136.68 137.14 39.7 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.538 1.535 . . . . 0.0 110.161 177.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.5 -33.98 70.42 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.217 0.607 . . . . 0.0 112.036 176.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 t -68.68 -39.95 80.35 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.556 0.743 . . . . 0.0 112.155 174.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.91 -45.2 86.89 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.287 -0.883 . . . . 0.0 111.861 175.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.16 -43.35 98.54 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.779 -0.576 . . . . 0.0 112.08 173.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.6 t -57.02 -49.81 74.65 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.198 1.399 . . . . 0.0 111.875 173.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.7 m -63.13 -39.65 95.3 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.472 1.109 . . . . 0.0 113.231 175.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.48 -50.27 65.96 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.405 1.002 . . . . 0.0 110.358 173.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.4 -32.09 73.43 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 120.828 -1.17 . . . . 0.0 113.023 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -61.5 -57.68 11.17 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.757 1.223 . . . . 0.0 110.945 166.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -59.22 -41.33 88.37 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.937 1.295 . . . . 0.0 113.938 -178.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.8 mm -69.5 -38.39 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.413 1.485 . . . . 0.0 110.561 173.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.43 -35.58 66.72 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 125.944 1.735 . . . . 0.0 114.459 169.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -59.51 -48.94 79.71 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 120.444 2.122 . . . . 0.0 111.519 173.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.2 m -68.1 -41.06 82.37 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.717 -0.614 . . . . 0.0 112.028 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.84 -44.83 91.05 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.732 0.696 . . . . 0.0 111.348 173.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.79 -40.04 96.08 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.688 1.195 . . . . 0.0 113.027 175.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -64.55 -45.57 86.55 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.534 1.061 . . . . 0.0 112.412 172.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.2 m -62.26 -23.36 66.65 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.604 1.162 . . . . 0.0 113.643 175.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.9 mt -105.05 5.93 32.9 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.954 1.702 . . . . 0.0 112.85 177.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.31 32.06 63.38 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.972 1.748 . . . . 0.0 115.673 177.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 38.6 mm -62.27 130.23 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.974 1.31 . . . . 0.0 111.32 -176.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.34 14.51 1.2 Allowed 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 125.893 1.677 . . . . 0.0 115.197 -177.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.3 m -170.77 62.7 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 128.87 2.868 . . . . 0.0 109.03 -177.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.8 p30 -53.13 -30.42 36.72 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 120.963 -1.086 . . . . 0.0 113.532 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.9 t -59.41 -41.33 89.23 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.997 1.719 . . . . 0.0 113.579 170.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.23 -39.01 55.6 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.234 -0.916 . . . . 0.0 111.648 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -51.8 59.03 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 122.982 0.513 . . . . 0.0 110.933 175.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.42 -38.12 79.81 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.827 0.851 . . . . 0.0 112.141 174.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.98 -46.83 92.73 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 124.175 0.893 . . . . 0.0 113.329 173.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.63 -38.99 93.23 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 118.509 1.155 . . . . 0.0 112.379 174.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.43 -37.71 88.47 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.806 1.242 . . . . 0.0 112.708 172.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.8 91.87 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.375 1.07 . . . . 0.0 111.694 173.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -63.95 -34.47 78.04 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.722 0.809 . . . . 0.0 112.67 173.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.97 -53.26 59.45 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.505 0.722 . . . . 0.0 111.832 175.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.6 t -66.88 -43.98 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.87 0.868 . . . . 0.0 112.455 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.09 -25.19 64.06 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.236 0.922 . . . . 0.0 113.573 174.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.07 -41.1 99.67 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.347 1.451 . . . . 0.0 113.602 174.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.6 t -87.19 -47.53 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-N 117.904 0.852 . . . . 0.0 111.099 173.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.57 163.78 8.81 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 125.765 1.65 . . . . 0.0 114.87 -177.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.09 132.03 52.81 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 121.53 -0.982 . . . . 0.0 113.452 -176.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 136.49 -39.49 1.64 Allowed Glycine 0 CA--C 1.535 1.339 0 C-N-CA 126.128 1.823 . . . . 0.0 113.604 177.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.32 169.81 5.4 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.528 1.131 . . . . 0.0 113.029 171.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 78.8 p -68.28 158.36 33.55 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.198 -0.939 . . . . 0.0 112.45 173.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.46 -29.94 64.64 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.64 -0.663 . . . . 0.0 112.704 170.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.0 t -59.63 -38.36 81.12 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.68 0.792 . . . . 0.0 112.602 172.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.78 -42.93 94.69 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.905 1.229 . . . . 0.0 112.415 176.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -68.67 -43.41 76.23 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.593 0.757 . . . . 0.0 111.668 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -56.98 -39.87 75.45 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.802 1.241 . . . . 0.0 111.854 171.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -64.79 -49.5 70.43 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.904 0.774 . . . . 0.0 111.257 173.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.07 -44.03 96.92 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.612 0.642 . . . . 0.0 111.788 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 43.3 mt -60.13 -53.67 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.577 1.551 . . . . 0.0 110.933 173.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.86 -22.94 64.18 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -81.2 -33.98 32.58 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.395 1.078 . . . . 0.0 113.416 167.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.57 -51.82 15.58 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 120.776 1.626 . . . . 0.0 110.924 176.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.48 -44.66 92.98 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.14 0.976 . . . . 0.0 111.346 168.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.75 -48.69 82.54 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-O 118.895 -0.947 . . . . 0.0 113.104 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -62.57 -44.92 95.13 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 119.141 1.47 . . . . 0.0 111.678 174.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -64.76 -48.62 73.86 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.159 0.891 . . . . 0.0 111.872 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.2 mt -69.02 -27.15 65.41 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.542 -1.349 . . . . 0.0 112.526 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.28 -47.21 71.3 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.481 1.037 . . . . 0.0 112.221 168.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 61.9 p -69.06 -30.66 69.04 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.318 0.963 . . . . 0.0 112.815 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -74.9 -8.66 57.12 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 168.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 61.73 21.27 60.53 Favored Glycine 0 CA--C 1.539 1.572 0 O-C-N 121.138 -0.976 . . . . 0.0 114.365 -174.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.5 t -64.83 -35.16 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.706 1.203 . . . . 0.0 110.835 172.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 pp -105.7 151.28 24.62 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.566 1.146 . . . . 0.0 111.531 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -150.87 152.84 34.28 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.062 1.745 . . . . 0.0 108.617 -175.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.93 -19.36 2.53 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 58.7 t -44.92 -48.2 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 127.169 2.187 . . . . 0.0 112.587 167.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -161.25 29.44 0.14 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.332 1.453 . . . . 0.0 113.163 -176.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.34 -41.17 68.77 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 120.763 -1.211 . . . . 0.0 112.67 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.6 p -59.16 -59.89 4.74 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 123.148 0.579 . . . . 0.0 111.647 167.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -36.06 63.93 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -177.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 76.1 mt -66.34 -25.8 66.99 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.695 1.198 . . . . 0.0 114.009 173.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.77 -42.32 94.41 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 123.762 0.696 . . . . 0.0 112.059 167.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -33.28 75.3 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 171.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.36 -47.57 72.98 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 119.061 0.846 . . . . 0.0 112.543 176.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.03 -39.36 83.1 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.224 -0.922 . . . . 0.0 112.135 172.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.32 -37.08 85.85 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 119.421 1.009 . . . . 0.0 111.887 175.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -64.52 -34.64 78.71 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.312 0.96 . . . . 0.0 112.552 168.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.05 -47.33 71.65 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 120.317 1.417 . . . . 0.0 112.665 175.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 29.4 mt -65.54 -39.82 92.18 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.253 1.021 . . . . 0.0 111.418 172.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 34.4 t -69.59 -42.97 73.75 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.594 1.158 . . . . 0.0 113.344 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -56.04 -44.96 79.32 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.761 1.164 . . . . 0.0 110.601 173.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.9 t -66.77 -47.66 71.46 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 176.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.68 -35.23 78.46 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.694 1.134 . . . . 0.0 113.361 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.64 -43.73 95.92 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.584 1.154 . . . . 0.0 111.612 170.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -66.02 -33.74 76.5 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.558 -0.714 . . . . 0.0 112.536 171.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.4 t -61.68 -40.74 96.04 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 120.567 -1.333 . . . . 0.0 111.648 174.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.56 -20.74 63.61 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 170.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -78.74 -32.49 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.473 1.109 . . . . 0.0 112.65 172.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 75.5 m -69.66 -8.53 48.43 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 75.85 -35.26 1.23 Allowed Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.875 1.703 . . . . 0.0 114.495 176.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -15.22 2.64 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.041 1.337 . . . . 0.0 114.596 171.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.25 -28.6 63.09 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.134 1.374 . . . . 0.0 113.127 174.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.33 41.24 0.11 Allowed 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 126.235 1.814 . . . . 0.0 112.347 175.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 68.67 35.28 80.21 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 125.66 1.6 . . . . 0.0 114.391 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 29.6 t 50.2 68.69 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 126.431 1.892 . . . . 0.0 111.305 -172.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.0 t -148.03 162.27 39.69 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.461 1.505 . . . . 0.0 111.375 -178.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 58.11 -68.23 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 128.23 2.612 . . . . 0.0 115.303 -175.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 . . . . . 0 C--O 1.256 1.41 0 C-N-CA 127.051 2.14 . . . . 0.0 111.3 -170.557 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -75.16 -51.13 14.16 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.064 0.946 . . . . 0.0 111.762 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.2 p -67.47 -35.13 78.59 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.799 0.839 . . . . 0.0 111.784 176.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 t -67.51 -38.06 83.72 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.363 0.665 . . . . 0.0 111.82 174.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.52 -44.44 82.47 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.446 1.021 . . . . 0.0 111.849 172.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.4 ' CD1' HD21 ' A' ' 95' ' ' LEU . 62.1 t80 -58.56 -49.6 76.85 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 120.994 -1.066 . . . . 0.0 110.238 173.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.1 -29.05 70.49 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-O 117.807 -1.092 . . . . 0.0 113.17 174.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -65.37 -56.22 13.77 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 121.583 1.992 . . . . 0.0 111.477 175.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.65 -41.48 88.19 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.485 0.584 . . . . 0.0 111.618 178.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.81 -52.79 64.01 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 117.684 -1.151 . . . . 0.0 110.58 174.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.3 m -58.9 -35.67 73.42 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 120.669 1.577 . . . . 0.0 113.033 174.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.34 -44.96 92.58 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.492 1.042 . . . . 0.0 111.453 175.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.6 t -73.34 -51.4 17.57 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.731 0.812 . . . . 0.0 112.079 174.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.6 mt -57.96 -36.64 72.84 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.247 2.219 . . . . 0.0 113.19 -178.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.07 -27.01 61.48 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 124.342 1.057 . . . . 0.0 113.104 173.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.7 -28.97 36.52 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.828 1.651 . . . . 0.0 112.413 172.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.2 m -70.52 74.77 0.56 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 127.085 2.154 . . . . 0.0 112.453 177.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.3 m -52.63 -31.56 37.39 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.958 0.903 . . . . 0.0 113.202 175.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.32 -39.85 94.39 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.304 0.957 . . . . 0.0 113.187 172.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 64.2 mt -70.27 -46.06 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 124.117 0.967 . . . . 0.0 110.146 175.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.1 t -59.36 -43.37 92.86 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.031 0.532 . . . . 0.0 111.776 175.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -62.61 -43.99 97.43 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 117.752 -1.118 . . . . 0.0 113.183 171.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.44 -43.82 93.04 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 120.413 1.46 . . . . 0.0 111.79 175.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -65.51 -36.14 82.97 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.67 -26.06 50.05 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 174.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.8 t -66.82 -42.69 85.46 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 125.457 1.503 . . . . 0.0 111.867 177.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.8 m -74.85 148.38 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 O-C-N 121.955 -0.466 . . . . 0.0 112.091 171.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.7 p -136.76 19.11 3.05 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.222 1.409 . . . . 0.0 113.015 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.32 137.23 38.73 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.704 2.002 . . . . 0.0 109.747 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.08 -36.69 77.95 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.927 -0.483 . . . . 0.0 112.233 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 m -70.24 -31.3 68.64 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 171.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.64 -40.7 72.92 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 120.427 -1.421 . . . . 0.0 110.672 173.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.9 -42.15 90.58 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.734 0.813 . . . . 0.0 111.623 171.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.8 p -61.59 -41.6 97.66 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 120.938 -1.101 . . . . 0.0 111.066 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.4 t -69.19 -38.96 78.91 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.797 1.239 . . . . 0.0 113.265 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.83 -45.75 91.15 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.538 -1.351 . . . . 0.0 110.586 173.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.05 -27.9 65.02 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.411 0.684 . . . . 0.0 112.121 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -63.46 -53.44 52.11 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 123.721 0.808 . . . . 0.0 110.308 168.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.35 -45.38 84.41 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 120.39 -1.444 . . . . 0.0 113.134 -179.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.1 mt -62.43 -43.11 97.91 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 124.745 1.218 . . . . 0.0 110.974 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.18 -39.66 92.47 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 125.091 1.329 . . . . 0.0 113.026 176.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.9 -52.34 65.47 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.534 1.667 . . . . 0.0 110.524 174.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.9 m -64.76 -31.84 73.25 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.18 -48.25 44.65 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.301 -0.874 . . . . 0.0 111.949 172.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.08 -37.35 69.21 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.886 1.274 . . . . 0.0 112.008 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.6 mmm-85 -62.32 -41.75 98.8 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.781 1.632 . . . . 0.0 113.778 170.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.0 m -65.19 -40.52 94.35 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.932 0.787 . . . . 0.0 112.208 173.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 mp -75.35 -23.17 57.16 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.675 0.79 . . . . 0.0 112.679 176.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.5 26.34 23.31 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 125.265 1.412 . . . . 0.0 114.447 176.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.37 137.24 22.08 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.99 0 C-N-CA 124.764 1.226 . . . . 0.0 110.738 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.4 8.52 21.34 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 125.181 1.393 . . . . 0.0 114.11 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 34.9 p -152.48 51.74 0.77 Allowed 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.408 1.883 . . . . 0.0 110.196 -173.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -53.97 -37.99 64.54 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.347 -0.846 . . . . 0.0 110.552 -174.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 42.1 p -55.6 -36.45 66.95 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 127.141 2.177 . . . . 0.0 114.187 173.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.21 -40.26 21.94 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.626 1.171 . . . . 0.0 112.218 178.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.39 -58.52 6.81 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.813 0.845 . . . . 0.0 109.298 175.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.07 -35.68 77.59 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.904 1.282 . . . . 0.0 112.226 176.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.89 -42.64 96.84 Favored Glycine 0 CA--C 1.535 1.291 0 CA-C-N 119.078 0.854 . . . . 0.0 112.57 175.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.8 96.46 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.419 1.109 . . . . 0.0 111.675 171.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.36 -40.72 98.04 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.02 0.827 . . . . 0.0 112.952 174.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.15 -49.7 76.62 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.112 0.965 . . . . 0.0 111.285 174.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -63.37 -37.09 85.93 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.123 0.969 . . . . 0.0 112.143 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.38 -48.89 73.76 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.397 1.079 . . . . 0.0 112.434 176.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 38.9 t -63.08 -41.22 92.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 123.963 0.905 . . . . 0.0 111.64 175.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.66 -20.74 56.93 Favored Glycine 0 CA--C 1.541 1.674 0 C-N-CA 124.346 0.974 . . . . 0.0 113.783 171.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.51 -41.43 96.26 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 125.347 1.451 . . . . 0.0 113.15 176.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.0 t -79.58 -44.22 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 118.07 0.935 . . . . 0.0 110.512 171.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.2 166.36 10.71 Favored Glycine 0 CA--C 1.542 1.777 0 C-N-CA 123.964 0.792 . . . . 0.0 113.649 -175.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.45 155.17 18.89 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -173.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.67 43.62 7.7 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 124.215 0.912 . . . . 0.0 113.322 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -138.13 166.68 23.54 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.456 1.502 . . . . 0.0 112.208 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.3 m -60.57 148.33 38.47 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.742 1.217 . . . . 0.0 112.045 178.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.71 -41.33 70.16 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.581 -0.699 . . . . 0.0 111.793 171.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.9 t -56.52 -36.24 68.98 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.458 1.103 . . . . 0.0 112.969 173.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.65 -46.13 80.36 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 120.411 1.46 . . . . 0.0 112.027 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -68.84 -44.76 72.75 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.578 -0.701 . . . . 0.0 111.483 174.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.74 -38.09 86.66 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.19 1.396 . . . . 0.0 112.031 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -69.95 -46.55 65.02 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.533 1.533 . . . . 0.0 110.614 172.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.69 -43.13 80.2 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 120.061 1.301 . . . . 0.0 112.049 175.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 53.6 mt -60.41 -51.23 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 125.624 1.57 . . . . 0.0 111.235 170.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.16 -27.0 68.78 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 119.389 0.995 . . . . 0.0 113.227 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -77.43 -42.21 36.98 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.699 1.2 . . . . 0.0 112.19 170.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.78 -49.85 42.16 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.557 1.071 . . . . 0.0 111.879 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.87 88.48 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.962 0.905 . . . . 0.0 110.641 167.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -57.05 -46.03 91.86 Favored Glycine 0 CA--C 1.535 1.295 0 CA-C-O 119.014 -0.881 . . . . 0.0 113.076 177.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -62.24 -41.85 98.79 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.167 1.483 . . . . 0.0 111.821 172.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -60.88 -48.34 82.25 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.217 0.607 . . . . 0.0 111.12 175.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.0 mt -73.56 -22.15 60.15 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.003 0.921 . . . . 0.0 112.338 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.27 -52.76 36.85 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.621 -1.3 . . . . 0.0 111.1 167.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.5 t -66.68 -32.3 73.52 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -71.73 -7.88 50.8 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 170.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.92 11.52 69.87 Favored Glycine 0 CA--C 1.539 1.587 0 O-C-N 120.845 -1.159 . . . . 0.0 114.206 -178.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.9 t -69.31 -35.52 67.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 125.443 1.497 . . . . 0.0 110.713 175.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.4 HD21 ' CD1' ' A' ' 7' ' ' PHE . 55.0 mt -72.97 119.25 16.96 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 121.668 0.747 . . . . 0.0 110.986 169.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -148.13 150.37 33.71 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 127.063 2.145 . . . . 0.0 111.033 -175.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.26 -12.47 13.42 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 47.9 t -52.73 -49.66 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.133 1.773 . . . . 0.0 111.309 170.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -169.64 33.67 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.133 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -177.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -50.15 -33.59 19.55 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.774 1.624 . . . . 0.0 112.467 175.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.5 t -63.39 -64.31 0.94 Allowed 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.847 -0.533 . . . . 0.0 110.082 170.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.78 -30.79 69.12 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -174.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.22 -25.07 66.8 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.88 -1.138 . . . . 0.0 113.28 171.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -60.71 -46.71 93.93 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 124.156 0.884 . . . . 0.0 112.194 169.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.2 m -63.16 -37.18 86.22 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 117.934 0.867 . . . . 0.0 112.39 169.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.87 -46.4 90.74 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 119.975 1.261 . . . . 0.0 112.435 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -72.34 -40.89 67.05 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.429 -0.794 . . . . 0.0 111.577 177.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.8 -38.46 81.99 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.168 -0.957 . . . . 0.0 112.512 173.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -67.66 -36.42 80.7 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.875 0.761 . . . . 0.0 111.952 173.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.13 -46.28 88.03 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.287 0.948 . . . . 0.0 111.956 172.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 78.5 mt -65.86 -35.0 79.44 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.548 0.739 . . . . 0.0 111.929 173.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.9 t -63.92 -41.1 97.74 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.422 1.089 . . . . 0.0 112.286 173.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.5 -48.38 77.29 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.476 0.71 . . . . 0.0 110.647 170.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.4 m -65.46 -35.93 82.38 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 176.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -71.11 -45.51 63.51 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.845 1.258 . . . . 0.0 112.333 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.45 92.13 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.758 0.823 . . . . 0.0 110.813 170.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -67.1 -32.34 73.42 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 173.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.61 -41.89 99.25 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 120.641 -1.287 . . . . 0.0 111.888 170.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -76.02 -11.38 59.94 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 174.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.19 -28.49 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 CA-C-N 119.506 1.048 . . . . 0.0 112.303 176.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 17.3 t -121.35 -65.13 1.16 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.862 1.265 . . . . 0.0 112.206 -177.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 51.04 19.27 3.52 Favored Glycine 0 CA--C 1.543 1.843 0 N-CA-C 114.991 0.756 . . . . 0.0 114.991 -174.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 51.39 22.93 1.57 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.743 2.017 . . . . 0.0 115.434 -171.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -117.59 -16.36 10.13 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 -176.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -66.04 11.56 0.08 Allowed 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 126.684 1.994 . . . . 0.0 115.773 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 104.59 -41.73 2.07 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 126.652 2.072 . . . . 0.0 111.914 -172.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 74.6 t 60.36 154.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 127.566 2.347 . . . . 0.0 112.497 -173.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 62.3 m -71.29 65.0 0.4 Allowed 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.276 -1.515 . . . . 0.0 112.275 172.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.78 77.11 1.37 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.26 1.824 . . . . 0.0 109.834 -174.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 . . . . . 0 C--O 1.256 1.417 0 C-N-CA 125.342 1.457 . . . . 0.0 113.364 176.012 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.3 p . . . . . 0 CA--C 1.538 0.502 0 CA-C-O 121.57 0.7 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.419 ' H ' ' CD1' ' A' ' 95' ' ' LEU . 0.1 OUTLIER -128.23 61.32 1.46 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.244 1.018 . . . . 0.0 111.803 -164.317 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.2 t -53.41 -39.16 64.11 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.335 1.054 . . . . 0.0 113.406 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -64.75 -37.2 86.79 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.203 -0.936 . . . . 0.0 112.725 175.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.35 -42.53 79.11 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.194 -0.941 . . . . 0.0 111.513 174.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -55.22 -49.48 71.85 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.958 0.903 . . . . 0.0 110.772 172.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.57 -25.79 68.13 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 117.457 -1.259 . . . . 0.0 113.817 174.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -71.95 -46.57 57.0 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 121.023 1.738 . . . . 0.0 113.297 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.04 -41.38 70.87 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.128 -0.982 . . . . 0.0 111.1 176.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.01 -50.33 73.77 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 118.479 -0.772 . . . . 0.0 111.105 171.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.7 p -62.22 -34.71 77.01 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 120.252 1.387 . . . . 0.0 112.815 176.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 m -57.33 -47.39 81.7 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.907 1.685 . . . . 0.0 112.573 171.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.2 m -72.04 -45.93 58.95 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.7 mt -66.92 -31.26 71.72 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.604 1.161 . . . . 0.0 111.913 -179.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.9 -36.59 78.22 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.915 1.286 . . . . 0.0 113.327 174.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 t -83.52 -3.33 57.54 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 174.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.0 t -105.55 77.6 1.29 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.236 1.414 . . . . 0.0 111.301 -175.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.6 m -53.91 -25.13 18.73 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.312 1.226 . . . . 0.0 114.312 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.75 -32.14 72.37 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.269 1.028 . . . . 0.0 113.468 172.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 30.3 mm -70.59 -48.5 58.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.352 1.461 . . . . 0.0 109.749 173.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.5 m -57.52 -39.33 76.3 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 123.498 0.719 . . . . 0.0 111.793 174.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -61.31 -53.11 60.95 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 116.848 -1.548 . . . . 0.0 112.005 168.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.51 -35.96 31.76 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 121.549 1.977 . . . . 0.0 113.733 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -82.97 -36.03 25.44 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 176.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.28 -23.85 47.03 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.397 0.999 . . . . 0.0 113.271 176.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.2 m -62.78 -27.5 69.34 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 127.314 2.246 . . . . 0.0 113.376 174.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.5 m -96.34 154.03 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 123.62 0.768 . . . . 0.0 111.109 172.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.4 m -121.26 15.1 11.37 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.936 1.295 . . . . 0.0 112.575 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.7 m -140.34 139.93 35.49 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.916 1.686 . . . . 0.0 110.79 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.73 98.39 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.451 0.701 . . . . 0.0 110.917 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.1 t -65.0 -32.23 73.86 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.013 0.925 . . . . 0.0 112.86 176.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.47 -41.21 76.48 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.954 -1.091 . . . . 0.0 111.801 173.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.93 -41.52 98.04 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.503 0.592 . . . . 0.0 111.185 168.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.0 m -57.05 -46.33 82.51 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.227 1.011 . . . . 0.0 111.489 175.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.2 m -63.7 -44.1 94.66 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 118.903 0.774 . . . . 0.0 112.721 173.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.8 -49.98 74.15 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.69 1.132 . . . . 0.0 111.609 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.68 -35.91 81.2 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.41 1.484 . . . . 0.0 112.205 177.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -63.15 -50.31 70.91 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.278 1.031 . . . . 0.0 111.46 169.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -58.91 -50.29 74.58 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.653 1.115 . . . . 0.0 112.694 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.9 pt -70.02 -31.42 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 123.324 0.649 . . . . 0.0 112.1 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.18 -36.06 63.95 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 125.746 1.641 . . . . 0.0 113.678 175.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.8 mt -60.55 -43.01 97.7 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.143 1.472 . . . . 0.0 111.397 169.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.5 t -64.26 -43.75 93.9 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 118.401 0.546 . . . . 0.0 111.924 176.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.6 -44.87 93.24 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.553 -0.717 . . . . 0.0 111.964 171.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.64 -42.21 98.16 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.615 1.166 . . . . 0.0 112.901 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.3 mtp85 -61.72 -40.64 95.78 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.006 1.322 . . . . 0.0 112.196 173.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.0 t -64.57 -37.87 89.05 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.742 0.817 . . . . 0.0 112.7 172.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.0 mt -85.8 5.68 31.47 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.849 1.66 . . . . 0.0 113.792 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.07 30.0 69.4 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 125.396 1.474 . . . . 0.0 115.146 177.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.9 mm -61.41 133.33 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.519 1.528 . . . . 0.0 111.427 -174.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.12 11.54 1.8 Allowed 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 115.1 1.518 . . . . 0.0 115.1 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.67 66.43 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 128.532 2.733 . . . . 0.0 108.537 -173.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -53.02 -43.4 66.52 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.277 -0.889 . . . . 0.0 110.884 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.7 t -56.0 -38.12 70.05 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.853 1.661 . . . . 0.0 113.759 174.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.29 -40.65 36.24 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.302 0.955 . . . . 0.0 112.172 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.0 tt -61.59 -56.24 21.99 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.177 0.898 . . . . 0.0 109.892 172.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.32 -36.95 79.13 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.686 0.795 . . . . 0.0 112.113 -178.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.52 -43.16 78.61 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.515 1.055 . . . . 0.0 113.508 174.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.68 -36.33 83.48 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 118.546 1.173 . . . . 0.0 112.325 172.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.49 -40.93 80.71 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.985 1.314 . . . . 0.0 112.349 172.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.22 -41.55 79.69 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.908 0.883 . . . . 0.0 112.105 171.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -62.59 -31.43 72.25 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 174.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.81 -42.4 67.1 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.069 0.849 . . . . 0.0 111.971 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 t -60.81 -46.53 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.443 1.097 . . . . 0.0 112.032 171.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.71 -5.29 30.27 Favored Glycine 0 CA--C 1.539 1.549 0 C-N-CA 124.334 0.969 . . . . 0.0 114.403 170.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.44 -34.14 29.65 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.425 1.488 . . . . 0.0 113.698 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 13.7 t -83.46 -50.13 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-N 118.365 1.082 . . . . 0.0 111.432 177.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.95 174.83 18.83 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 125.064 1.316 . . . . 0.0 114.084 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.32 152.89 40.75 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.231 1.013 . . . . 0.0 112.543 -177.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.06 9.79 36.74 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 123.94 0.781 . . . . 0.0 114.918 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.72 165.48 10.32 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.92 1.288 . . . . 0.0 112.423 173.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.3 t -61.65 145.79 51.11 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 122.922 0.489 . . . . 0.0 111.943 178.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.37 -42.25 81.75 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.605 -0.684 . . . . 0.0 112.512 172.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.4 m -66.54 -26.49 67.16 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 173.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.09 -43.27 65.07 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 119.373 0.988 . . . . 0.0 111.58 174.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -64.18 -44.85 90.76 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.798 0.727 . . . . 0.0 111.942 171.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.49 -48.16 79.98 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.235 0.614 . . . . 0.0 111.985 175.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -65.28 -37.52 87.43 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 118.357 -0.83 . . . . 0.0 113.139 173.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.83 94.48 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 120.649 1.568 . . . . 0.0 112.306 176.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 78.2 mt -71.33 -43.02 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 O-C-N 121.116 -0.99 . . . . 0.0 110.555 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.46 -31.61 71.02 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 178.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -70.68 -32.95 70.39 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.679 1.127 . . . . 0.0 111.225 167.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.55 -44.5 64.46 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.82 1.191 . . . . 0.0 111.969 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.43 -45.58 86.91 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.846 -0.534 . . . . 0.0 111.267 169.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.67 -48.64 83.07 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 125.092 1.329 . . . . 0.0 113.487 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -63.24 -37.04 85.67 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.141 1.47 . . . . 0.0 111.005 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -67.65 -50.57 57.2 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.56 0.618 . . . . 0.0 110.404 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.9 mt -66.71 -29.34 69.3 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 120.88 -1.137 . . . . 0.0 112.449 176.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.68 -49.25 66.73 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.349 1.459 . . . . 0.0 112.59 171.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 70.8 p -67.8 -32.53 73.15 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.159 0.89 . . . . 0.0 112.317 178.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -77.76 -7.18 56.2 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 171.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 58.96 22.99 56.26 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.689 1.138 . . . . 0.0 114.355 -175.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 17.6 t -69.03 -41.69 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.137 1.375 . . . . 0.0 110.666 176.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.419 ' CD1' ' H ' ' A' ' 3' ' ' TYR . 4.4 pp -87.89 154.93 20.13 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.542 0.737 . . . . 0.0 111.31 170.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -151.14 148.54 28.4 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.697 1.599 . . . . 0.0 108.712 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -47.1 -20.36 0.16 Allowed 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 176.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 95.8 t -43.12 -48.77 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 127.075 2.15 . . . . 0.0 112.636 164.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -160.62 24.65 0.15 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.474 1.51 . . . . 0.0 113.611 -177.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.98 -36.38 67.8 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 120.339 -1.476 . . . . 0.0 113.38 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 p -58.21 -64.35 0.95 Allowed 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 122.65 0.38 . . . . 0.0 111.189 165.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.9 -36.87 60.04 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 -178.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 66.0 mt -65.56 -28.51 69.21 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.012 -1.055 . . . . 0.0 113.125 172.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.0 -48.22 74.8 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 124.515 1.055 . . . . 0.0 112.227 168.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.5 m -63.43 -37.47 87.43 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.024 0.912 . . . . 0.0 113.014 171.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.15 96.72 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 7.9 tt -80.73 -33.64 35.02 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.495 -0.753 . . . . 0.0 112.158 173.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.62 -35.21 70.18 Favored 'General case' 0 C--O 1.222 -0.356 0 O-C-N 121.071 -1.018 . . . . 0.0 111.87 171.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -60.11 -36.74 78.11 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 119.236 0.925 . . . . 0.0 112.986 169.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.37 -51.4 66.03 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.39 0.996 . . . . 0.0 111.006 174.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.0 mt -63.88 -37.47 87.49 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.528 0.731 . . . . 0.0 112.279 177.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.5 m -64.23 -46.78 82.31 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.852 1.261 . . . . 0.0 112.95 174.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -62.93 -40.92 99.1 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.969 0.804 . . . . 0.0 111.451 173.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.7 m -67.52 -40.42 85.09 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.59 -43.8 83.91 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.399 -0.813 . . . . 0.0 111.565 171.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.19 -32.19 66.21 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.928 0.891 . . . . 0.0 112.125 171.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.3 -52.72 60.76 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.67 1.188 . . . . 0.0 111.815 176.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.2 t -69.24 -36.98 77.74 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.885 -0.509 . . . . 0.0 111.652 176.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.484 ' HA ' ' CE1' ' A' ' 124' ' ' TYR . . . -59.62 -26.59 65.61 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.368 1.067 . . . . 0.0 113.817 174.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.2 -28.22 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.0 0.92 . . . . 0.0 112.858 175.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 75.2 m -75.92 -35.26 59.84 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -174.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.45 -11.8 23.37 Favored Glycine 0 CA--C 1.542 1.754 0 N-CA-C 115.988 1.155 . . . . 0.0 115.988 -177.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -93.17 -17.33 23.85 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 118.67 1.235 . . . . 0.0 112.034 174.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.484 ' CE1' ' HA ' ' A' ' 119' ' ' ALA . 10.8 p90 -55.21 -28.72 55.11 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.874 1.669 . . . . 0.0 114.292 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.12 16.35 9.93 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.888 1.275 . . . . 0.0 114.127 178.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 80.31 23.7 60.45 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.324 0.964 . . . . 0.0 113.891 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 39.7 t 56.95 84.26 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 126.746 2.019 . . . . 0.0 111.74 -172.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.2 p 61.84 158.6 0.05 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 127.124 2.17 . . . . 0.0 114.285 -167.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.4 tm0? -151.45 61.51 0.89 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.797 0.839 . . . . 0.0 111.274 -178.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 . . . . . 0 C--O 1.256 1.407 0 C-N-CA 126.317 1.847 . . . . 0.0 112.4 -178.284 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.1 p . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 46.5 29.76 0.96 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.089 1.356 . . . . 0.0 114.208 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.6 m -55.65 -37.96 68.94 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.715 -1.24 . . . . 0.0 113.025 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 t -65.27 -37.93 88.7 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.03 0.532 . . . . 0.0 112.123 175.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.8 -41.3 68.43 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.493 -0.754 . . . . 0.0 112.219 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -58.25 -51.11 71.13 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.143 0.977 . . . . 0.0 110.397 171.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.85 -22.06 66.92 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 117.855 -1.069 . . . . 0.0 113.778 173.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -74.4 -50.63 17.76 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 121.087 1.767 . . . . 0.0 112.477 174.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.23 84.99 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.154 0.888 . . . . 0.0 111.26 175.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.56 -47.23 86.35 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 118.338 -0.839 . . . . 0.0 111.09 171.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.0 t -57.38 -48.48 78.93 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.934 1.243 . . . . 0.0 111.993 174.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -39.76 88.79 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.536 1.062 . . . . 0.0 112.268 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.4 t -67.5 -55.55 13.08 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.886 0.874 . . . . 0.0 111.797 172.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.4 mt -61.2 -29.66 69.95 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.749 1.62 . . . . 0.0 113.195 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.51 -22.32 61.8 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.152 1.781 . . . . 0.0 113.861 172.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.6 t -103.23 -19.92 14.32 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.349 1.06 . . . . 0.0 112.899 174.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.1 m -66.32 79.46 0.1 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.693 1.997 . . . . 0.0 112.24 173.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.6 t -53.03 -35.77 59.81 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.559 -0.713 . . . . 0.0 112.042 173.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.44 -38.43 71.6 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 120.937 -1.102 . . . . 0.0 113.905 173.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.4 mm -69.11 -46.56 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.452 1.101 . . . . 0.0 109.761 174.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.2 t -59.48 -45.34 91.93 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.096 0.558 . . . . 0.0 112.46 177.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -66.77 -40.95 88.42 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.389 1.076 . . . . 0.0 112.44 175.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.55 -46.44 90.16 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.909 1.232 . . . . 0.0 111.983 173.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -70.43 -29.75 66.43 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 176.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.57 -22.56 40.63 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.388 0.994 . . . . 0.0 112.976 172.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.56 -37.49 84.03 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.191 1.396 . . . . 0.0 112.324 172.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.0 m -85.38 145.96 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 124.015 0.926 . . . . 0.0 111.407 175.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.3 m -121.07 -10.16 9.08 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.665 1.186 . . . . 0.0 113.88 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.0 m -104.31 143.47 32.93 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.946 1.298 . . . . 0.0 110.9 173.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.7 -41.01 89.78 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.428 0.691 . . . . 0.0 112.131 175.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.6 m -66.99 -30.21 70.26 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 171.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.0 -37.0 75.55 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 120.322 1.419 . . . . 0.0 112.006 174.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.28 -43.62 92.51 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.744 -0.597 . . . . 0.0 111.227 165.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -41.76 98.26 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 118.577 -0.725 . . . . 0.0 112.28 175.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.8 m -62.29 -43.41 98.9 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.935 1.294 . . . . 0.0 113.211 175.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -50.62 62.14 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.908 0.776 . . . . 0.0 110.108 175.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.34 -38.33 90.66 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.205 0.602 . . . . 0.0 110.627 -175.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -58.24 -56.41 22.39 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.404 1.481 . . . . 0.0 111.352 170.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -57.48 -40.23 78.13 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 8.8 mt -68.06 -39.67 81.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 125.251 1.421 . . . . 0.0 111.638 172.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.91 -37.21 77.13 Favored Glycine 0 C--O 1.223 -0.551 0 C-N-CA 126.925 2.202 . . . . 0.0 113.363 174.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -57.91 -36.61 72.7 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.188 1.494 . . . . 0.0 112.297 171.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.5 t -70.65 -47.4 60.21 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 119.247 0.931 . . . . 0.0 111.771 177.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.32 -48.8 78.02 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.908 -0.495 . . . . 0.0 110.869 172.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.89 -45.52 86.31 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.216 1.406 . . . . 0.0 112.888 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -60.26 -47.57 85.44 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.498 1.119 . . . . 0.0 112.353 173.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 57.8 m -64.64 -25.29 67.89 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 176.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.3 mt -96.27 2.57 53.0 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.934 1.694 . . . . 0.0 112.75 176.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.61 32.11 64.6 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 125.563 1.554 . . . . 0.0 115.002 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.409 HG21 ' H ' ' A' ' 53' ' ' SER . 42.7 mm -59.62 129.42 21.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 124.862 1.265 . . . . 0.0 111.068 -177.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.83 8.43 4.6 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.099 1.36 . . . . 0.0 114.392 -178.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.409 ' H ' HG21 ' A' ' 51' ' ' ILE . 50.0 p -163.31 52.98 0.17 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 127.748 2.419 . . . . 0.0 109.867 -170.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.04 -35.58 47.6 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.983 -1.073 . . . . 0.0 112.08 -176.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.5 p -63.12 -36.64 84.27 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.854 2.062 . . . . 0.0 113.568 173.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.81 -39.47 43.66 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.297 1.039 . . . . 0.0 112.155 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -68.35 -48.82 63.81 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.536 1.062 . . . . 0.0 110.809 175.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.33 86.19 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.753 -0.592 . . . . 0.0 111.764 173.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.38 -47.2 86.88 Favored Glycine 0 CA--C 1.534 1.255 0 O-C-N 121.394 -0.816 . . . . 0.0 113.406 174.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.0 -41.44 97.49 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.42 -1.047 . . . . 0.0 112.41 177.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.3 -35.05 75.61 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.437 -0.789 . . . . 0.0 111.903 174.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.03 91.65 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.257 -0.902 . . . . 0.0 111.263 174.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -63.99 -31.89 73.24 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 171.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.13 -48.6 73.0 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.144 0.884 . . . . 0.0 111.5 175.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.89 -40.04 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.42 0.688 . . . . 0.0 112.171 175.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.13 -18.72 65.22 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.766 1.174 . . . . 0.0 113.591 173.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.09 -42.18 92.12 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.172 1.368 . . . . 0.0 113.343 176.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.5 t -79.17 -47.22 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 117.852 0.826 . . . . 0.0 111.04 174.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.47 155.15 10.94 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 124.984 1.278 . . . . 0.0 114.678 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.94 140.4 58.84 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -173.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.27 -37.4 2.88 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 127.063 2.268 . . . . 0.0 113.938 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.78 176.84 0.83 Allowed 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 125.69 1.596 . . . . 0.0 114.113 171.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.1 t -67.66 147.54 52.55 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.054 -1.029 . . . . 0.0 112.578 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.05 -35.78 67.3 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.542 0.737 . . . . 0.0 112.986 171.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.2 m -62.69 -25.1 67.99 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 175.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.47 -39.58 64.8 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.902 1.228 . . . . 0.0 111.748 174.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.1 m-30 -68.72 -49.0 62.41 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.26 1.024 . . . . 0.0 111.129 175.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.4 -34.21 74.97 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.494 1.118 . . . . 0.0 112.0 176.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -60.2 -46.65 89.02 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.992 0.815 . . . . 0.0 112.062 166.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.82 -35.39 78.07 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.885 0.766 . . . . 0.0 112.218 177.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.0 mm -73.82 -43.44 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 118.877 0.762 . . . . 0.0 111.143 175.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.39 -32.78 73.64 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.992 0.917 . . . . 0.0 112.527 175.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -72.86 -44.84 60.88 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.413 1.485 . . . . 0.0 112.863 169.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.18 -43.12 82.99 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 120.212 1.369 . . . . 0.0 112.476 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.43 -42.88 70.97 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.588 0.755 . . . . 0.0 111.755 172.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.58 -50.38 67.65 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 124.235 0.922 . . . . 0.0 112.856 176.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -35.3 74.08 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 118.485 1.142 . . . . 0.0 111.747 175.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -64.18 -48.22 76.78 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.613 0.765 . . . . 0.0 111.117 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 48.8 mt -74.9 -31.3 61.53 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.816 0.846 . . . . 0.0 111.346 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.91 -49.15 71.56 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.971 1.309 . . . . 0.0 112.764 171.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.6 t -65.4 -32.69 74.45 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 119.028 0.831 . . . . 0.0 112.05 176.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -74.43 -7.18 52.09 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 171.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 61.08 19.24 56.65 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.544 1.068 . . . . 0.0 114.426 -175.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.7 t -67.15 -24.98 32.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.372 1.469 . . . . 0.0 111.129 171.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 28.6 mt -94.23 124.48 38.27 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.745 1.218 . . . . 0.0 111.061 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -133.36 152.32 51.91 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.821 1.648 . . . . 0.0 110.114 -175.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.24 -17.93 5.29 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.676 1.362 . . . . 0.0 114.676 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 48.2 t -45.53 -52.24 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 127.184 2.193 . . . . 0.0 111.948 171.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -170.61 27.36 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.559 1.544 . . . . 0.0 113.851 -177.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -50.81 -37.33 42.05 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 120.338 -1.477 . . . . 0.0 113.12 175.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.27 -64.41 0.84 Allowed 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 123.829 0.851 . . . . 0.0 110.268 170.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.1 m -63.25 -30.62 71.73 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -178.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 73.6 mt -62.99 -25.63 68.47 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.085 -1.009 . . . . 0.0 112.464 171.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.27 -38.78 91.24 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 123.707 0.67 . . . . 0.0 113.025 169.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.6 t -60.43 -37.71 81.76 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 122.229 -0.571 . . . . 0.0 111.802 172.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.38 -38.74 84.86 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.724 1.147 . . . . 0.0 112.816 176.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -68.59 -47.97 65.38 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.526 0.603 . . . . 0.0 111.312 174.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.86 -35.09 77.27 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 175.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -66.57 -38.65 87.53 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.106 0.962 . . . . 0.0 111.184 171.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.14 -47.88 82.6 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 118.971 0.805 . . . . 0.0 111.647 172.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 82.2 mt -59.0 -42.33 89.8 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.687 -0.633 . . . . 0.0 111.206 172.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.7 t -63.56 -43.82 95.93 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.543 1.137 . . . . 0.0 112.277 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -54.72 -51.47 65.49 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.818 0.847 . . . . 0.0 110.735 170.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.7 m -68.1 -34.28 76.1 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -74.91 -40.29 60.96 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 124.585 1.154 . . . . 0.0 112.153 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.98 -41.75 97.05 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.366 0.667 . . . . 0.0 110.954 168.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -69.36 -32.16 71.05 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 121.52 -0.737 . . . . 0.0 112.899 174.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.2 m -62.7 -34.47 77.21 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 120.084 -1.635 . . . . 0.0 112.392 171.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -76.22 -13.17 60.18 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 171.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.79 -29.04 45.04 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-N 119.406 1.003 . . . . 0.0 113.064 178.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 74.2 m -140.56 -65.65 0.45 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.599 1.16 . . . . 0.0 112.198 -174.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 55.57 9.65 2.61 Favored Glycine 0 CA--C 1.541 1.709 0 C-N-CA 126.011 1.767 . . . . 0.0 116.76 -177.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 74.34 -3.06 2.64 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 127.786 2.434 . . . . 0.0 114.333 -165.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -90.43 -39.05 12.88 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.058 1.343 . . . . 0.0 112.173 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -130.01 16.52 5.68 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.758 1.623 . . . . 0.0 112.034 -176.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -62.54 -17.85 57.79 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 125.079 1.323 . . . . 0.0 115.553 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.6 t -120.29 52.15 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.883 1.673 . . . . 0.0 109.425 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.5 t -152.87 155.68 37.54 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.117 1.367 . . . . 0.0 111.802 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -160.74 82.67 0.66 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.732 0.813 . . . . 0.0 112.374 -177.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 . . . . . 0 C--O 1.256 1.428 0 C-N-CA 126.625 1.97 . . . . 0.0 112.138 178.007 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 p . . . . . 0 CA--C 1.547 0.852 0 CA-C-O 122.253 1.025 . . . . 0.0 113.681 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -122.11 -171.98 2.36 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 127.786 2.434 . . . . 0.0 110.994 -173.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.8 t -55.3 -33.43 63.26 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 120.216 -1.553 . . . . 0.0 113.077 173.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -67.03 -32.83 74.31 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.831 -1.168 . . . . 0.0 113.232 171.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.99 -45.49 70.47 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 121.369 -0.832 . . . . 0.0 111.067 174.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -50.2 -52.43 35.74 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.084 0.554 . . . . 0.0 110.438 168.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.29 -23.8 67.58 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -68.29 -54.41 17.73 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 120.632 1.56 . . . . 0.0 112.527 174.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.0 -39.55 79.24 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.764 -0.585 . . . . 0.0 111.749 176.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.76 94.28 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 117.972 -1.014 . . . . 0.0 111.97 174.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 m -56.85 -47.39 80.47 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.988 1.267 . . . . 0.0 112.151 172.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.6 t -64.2 -45.82 86.64 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.453 1.024 . . . . 0.0 112.135 178.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.3 t -62.58 -49.56 74.78 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.598 1.159 . . . . 0.0 113.013 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -36.73 79.59 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.249 1.02 . . . . 0.0 111.959 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.51 -31.1 71.62 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 118.898 0.772 . . . . 0.0 112.26 174.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.23 -22.53 66.33 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.019 1.327 . . . . 0.0 113.079 167.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.2 t -100.53 79.76 2.14 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.02 1.328 . . . . 0.0 111.726 -177.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.4 t -55.63 -26.8 46.18 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.993 -1.067 . . . . 0.0 113.198 176.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.06 -34.85 72.43 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.043 -1.036 . . . . 0.0 113.759 171.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 51.3 mt -64.11 -48.03 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 119.04 0.836 . . . . 0.0 110.428 171.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.1 t -59.98 -47.81 84.3 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.594 -0.691 . . . . 0.0 112.597 176.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -61.56 -39.31 90.65 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 118.007 -0.997 . . . . 0.0 112.65 175.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.07 -45.7 79.24 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.804 1.184 . . . . 0.0 112.356 173.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -73.02 -32.06 64.87 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 177.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.97 -26.79 61.49 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 172.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.0 t -71.16 -42.49 69.04 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.671 1.189 . . . . 0.0 112.79 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.8 m -70.07 135.94 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 123.718 0.807 . . . . 0.0 110.815 172.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.3 p -121.31 16.71 11.44 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.523 1.529 . . . . 0.0 112.435 -178.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 t -139.14 138.26 36.84 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 127.244 2.218 . . . . 0.0 108.583 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.26 -38.45 83.56 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 119.34 -0.362 . . . . 0.0 110.79 174.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -42.71 99.57 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.835 0.854 . . . . 0.0 112.63 172.087 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.96 97.71 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.036 0.834 . . . . 0.0 111.896 176.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.84 -49.57 75.76 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.347 0.659 . . . . 0.0 111.773 172.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.6 m -55.5 -46.84 76.91 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 124.902 1.281 . . . . 0.0 111.722 176.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.6 m -72.02 -34.05 68.53 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 178.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.21 -52.35 65.18 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.062 -1.024 . . . . 0.0 109.577 169.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.47 -27.51 67.85 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.327 0.651 . . . . 0.0 112.52 178.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -62.94 -49.55 74.31 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.887 1.275 . . . . 0.0 111.171 167.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -61.34 -47.87 83.9 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 120.279 1.4 . . . . 0.0 112.747 175.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.6 mt -57.3 -44.79 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.318 1.047 . . . . 0.0 111.134 174.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.51 -37.98 69.04 Favored Glycine 0 C--O 1.222 -0.61 0 C-N-CA 126.035 1.779 . . . . 0.0 114.193 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.7 mt -62.66 -45.5 92.52 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.143 1.471 . . . . 0.0 110.955 172.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 t -64.74 -46.41 82.34 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.847 0.459 . . . . 0.0 111.736 176.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.46 -47.92 82.43 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.652 -0.655 . . . . 0.0 111.757 172.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.86 97.81 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.619 1.168 . . . . 0.0 113.405 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -62.18 -41.43 98.32 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.564 0.746 . . . . 0.0 112.546 172.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.8 m -65.86 -37.69 86.85 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.2 mt -79.44 -14.18 59.09 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.424 1.49 . . . . 0.0 113.41 176.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.08 29.49 45.93 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 125.217 1.389 . . . . 0.0 114.681 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 31.6 mm -65.5 130.84 31.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.537 1.535 . . . . 0.0 110.876 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.73 14.84 0.58 Allowed 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -177.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.17 63.78 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 128.544 2.737 . . . . 0.0 108.506 -175.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 48.4 p-10 -49.03 -44.3 41.33 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.298 -0.877 . . . . 0.0 112.471 173.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 t -53.93 -38.99 65.46 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.446 1.498 . . . . 0.0 113.836 172.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.48 -41.5 32.41 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.223 -0.923 . . . . 0.0 112.475 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.1 tt -59.9 -56.49 21.15 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.339 0.972 . . . . 0.0 109.721 171.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.65 -38.65 81.98 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.892 0.877 . . . . 0.0 111.6 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.17 -43.53 80.12 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 124.552 1.072 . . . . 0.0 113.445 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.86 97.8 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 118.765 1.282 . . . . 0.0 112.263 174.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.33 -41.58 85.04 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.739 1.216 . . . . 0.0 111.619 173.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.73 90.16 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.165 0.986 . . . . 0.0 111.408 173.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -59.04 -36.89 75.79 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.936 0.894 . . . . 0.0 112.627 173.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.96 -49.04 71.87 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.319 0.648 . . . . 0.0 111.763 173.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.7 t -57.29 -46.46 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.906 1.282 . . . . 0.0 112.261 175.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.66 -13.5 51.49 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.43 1.014 . . . . 0.0 114.787 171.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.29 -35.96 77.86 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 125.648 1.594 . . . . 0.0 113.645 177.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.1 t -76.6 -48.88 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-N 117.933 0.867 . . . . 0.0 111.05 173.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.92 166.3 42.06 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 124.713 1.149 . . . . 0.0 114.173 -177.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.38 148.46 37.15 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.473 1.109 . . . . 0.0 113.778 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.7 54.95 6.24 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 123.696 0.665 . . . . 0.0 113.068 177.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.35 171.62 14.01 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.407 1.483 . . . . 0.0 112.228 -177.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.3 t -63.2 146.47 53.3 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.429 0.691 . . . . 0.0 112.06 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.63 -39.98 86.1 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.707 -0.62 . . . . 0.0 111.979 171.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.5 m -61.64 -33.16 73.45 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-O 117.633 -1.175 . . . . 0.0 112.635 172.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.11 -49.4 67.66 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 121.258 1.845 . . . . 0.0 111.948 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -59.1 -47.21 86.08 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.031 0.532 . . . . 0.0 112.185 173.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.59 -27.8 65.41 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 178.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -62.23 -47.7 83.25 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.376 1.071 . . . . 0.0 109.559 169.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.15 -38.08 85.14 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.583 0.629 . . . . 0.0 112.122 176.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 80.9 mt -68.49 -48.68 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.045 0.938 . . . . 0.0 111.939 174.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.08 -37.48 87.66 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.921 0.888 . . . . 0.0 112.057 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -67.68 -40.3 84.43 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.849 1.26 . . . . 0.0 112.659 170.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.8 -47.78 61.55 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 120.356 1.434 . . . . 0.0 111.943 177.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.7 92.39 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 121.289 -0.882 . . . . 0.0 111.472 173.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.15 -51.95 53.21 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.462 1.029 . . . . 0.0 113.612 172.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -61.8 -36.47 81.22 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.513 1.657 . . . . 0.0 111.695 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -64.5 -47.22 79.72 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.33 0.652 . . . . 0.0 110.68 176.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.2 mt -69.5 -23.26 63.6 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 120.95 -1.094 . . . . 0.0 113.733 174.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.32 -47.85 63.24 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.461 1.028 . . . . 0.0 111.323 171.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 65.0 p -70.13 -29.9 66.94 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.597 0.759 . . . . 0.0 113.0 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -76.4 -5.91 49.36 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 168.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 62.54 24.89 66.49 Favored Glycine 0 CA--C 1.538 1.53 0 CA-C-N 119.509 1.05 . . . . 0.0 114.276 -177.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.1 t -79.02 -27.63 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.299 1.44 . . . . 0.0 111.474 174.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 95.3 mt -77.91 110.55 12.91 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.523 -0.735 . . . . 0.0 110.853 174.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -133.5 164.08 27.95 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.684 1.594 . . . . 0.0 111.214 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.18 -14.16 6.44 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 168.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 41.3 t -52.28 -49.75 40.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.916 1.687 . . . . 0.0 111.421 172.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 173.0 45.6 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.862 2.065 . . . . 0.0 113.641 -175.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.94 -33.4 66.97 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 119.373 -2.08 . . . . 0.0 114.609 177.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.1 t -68.58 -60.23 2.57 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.81 0.732 . . . . 0.0 111.083 167.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.42 -35.35 73.83 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 -175.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.28 -28.81 66.61 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.05 -1.031 . . . . 0.0 112.712 171.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.46 -35.06 90.49 Favored Glycine 0 CA--C 1.524 0.618 0 O-C-N 121.604 -0.685 . . . . 0.0 112.438 172.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.6 -39.47 91.33 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 117.463 0.632 . . . . 0.0 112.474 167.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.44 -43.6 96.92 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.509 1.049 . . . . 0.0 112.701 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.6 tt -70.17 -40.52 74.64 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.591 -0.693 . . . . 0.0 111.67 173.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.26 -36.15 77.12 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 120.707 -1.246 . . . . 0.0 112.861 173.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -67.37 -32.01 72.64 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 118.39 -0.814 . . . . 0.0 112.64 169.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.8 -43.4 88.83 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 120.143 1.338 . . . . 0.0 112.161 170.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 67.5 mt -66.73 -39.98 88.18 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.426 -0.796 . . . . 0.0 111.737 174.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.1 t -62.68 -42.63 99.73 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.604 1.162 . . . . 0.0 112.193 172.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -56.42 -52.38 64.87 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 118.6 -0.714 . . . . 0.0 110.477 170.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.2 m -62.85 -38.95 92.84 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 119.372 0.987 . . . . 0.0 113.519 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -71.73 -45.4 61.87 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.5 1.12 . . . . 0.0 112.683 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.58 -39.18 88.32 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.786 0.835 . . . . 0.0 111.534 173.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -62.69 -27.86 69.54 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.478 1.111 . . . . 0.0 112.707 168.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.07 -30.33 67.98 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 120.299 1.409 . . . . 0.0 111.841 177.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.83 -13.97 39.99 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 170.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 49.1 t -59.45 -44.95 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.853 1.206 . . . . 0.0 111.342 171.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 63.0 m -66.24 -25.83 67.08 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 177.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 50.33 44.26 44.29 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 124.911 1.243 . . . . 0.0 113.048 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -153.07 -36.46 0.11 Allowed 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.595 -0.944 . . . . 0.0 112.933 -173.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.03 -31.01 64.72 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.942 0.897 . . . . 0.0 113.053 173.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -80.98 26.1 0.44 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.911 1.684 . . . . 0.0 113.338 176.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 90.09 -48.84 3.24 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 126.125 1.821 . . . . 0.0 112.578 -176.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 4.5 p -163.78 164.66 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 125.586 1.554 . . . . 0.0 111.735 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.0 110.14 2.37 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.447 1.099 . . . . 0.0 111.963 177.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -157.5 59.01 0.5 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.284 1.034 . . . . 0.0 112.649 177.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 125.516 1.526 . . . . 0.0 112.369 172.589 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -164.52 62.26 0.14 Allowed 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.45 -0.781 . . . . 0.0 112.003 -176.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.8 p -55.95 -34.99 66.19 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.519 -1.363 . . . . 0.0 113.091 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 m -63.81 -45.15 90.96 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.138 0.975 . . . . 0.0 112.635 174.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.37 -41.01 66.85 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.337 0.655 . . . . 0.0 111.74 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -56.83 -49.49 75.24 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.401 1.08 . . . . 0.0 110.412 171.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.28 -25.56 66.92 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 117.797 -1.097 . . . . 0.0 113.619 173.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -67.73 -52.34 38.65 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 121.204 1.82 . . . . 0.0 111.967 172.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.05 -41.39 82.12 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.36 0.982 . . . . 0.0 111.922 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.56 -51.56 68.89 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 118.427 -0.797 . . . . 0.0 110.755 175.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.3 t -57.55 -40.61 79.26 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.683 1.129 . . . . 0.0 112.182 173.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.5 t -56.65 -48.55 77.31 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.623 1.102 . . . . 0.0 111.863 176.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.1 m -72.05 -45.07 62.18 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 175.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.5 mt -62.62 -39.94 95.42 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.816 1.646 . . . . 0.0 112.359 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.11 -32.0 71.99 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.012 1.325 . . . . 0.0 112.735 173.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.65 -28.85 58.91 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.192 1.397 . . . . 0.0 112.309 170.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.3 t -86.17 77.76 9.51 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 125.461 1.504 . . . . 0.0 111.301 -174.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.2 m -53.34 -26.01 17.4 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.096 0.958 . . . . 0.0 113.572 176.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.1 -30.95 69.6 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 171.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.6 mm -76.61 -52.06 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.157 1.383 . . . . 0.0 110.054 173.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.7 m -56.82 -43.3 80.88 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.075 0.95 . . . . 0.0 112.068 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -36.13 72.22 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-O 117.76 -1.114 . . . . 0.0 112.336 175.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.67 -37.77 87.72 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.09 1.314 . . . . 0.0 111.595 175.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -68.03 -49.71 59.83 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.89 -0.506 . . . . 0.0 112.338 168.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.04 -18.49 63.4 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 120.143 1.338 . . . . 0.0 114.144 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.403 ' HG ' ' HA ' ' A' ' 125' ' ' LEU . 1.2 t -63.27 -23.43 67.42 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.051 1.74 . . . . 0.0 113.195 171.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.3 m -89.54 162.12 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 123.849 0.859 . . . . 0.0 112.001 177.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 m -124.03 4.16 8.65 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.938 1.295 . . . . 0.0 113.677 173.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 t -148.09 148.89 31.13 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.249 1.02 . . . . 0.0 111.96 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.23 -28.35 69.3 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.943 -0.473 . . . . 0.0 111.649 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -30.05 70.91 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 126.33 1.852 . . . . 0.0 113.19 172.223 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.11 -41.6 20.28 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.255 -0.903 . . . . 0.0 111.252 176.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.69 -38.92 92.65 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.558 170.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.9 p -65.14 -42.14 94.13 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 120.065 1.302 . . . . 0.0 110.844 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.7 t -61.45 -41.62 97.49 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.649 0.78 . . . . 0.0 112.592 171.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 mt -63.25 -52.85 60.43 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.239 0.927 . . . . 0.0 111.935 174.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.92 -34.08 69.48 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.404 1.482 . . . . 0.0 112.221 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -66.86 -53.85 28.28 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.951 0.901 . . . . 0.0 110.993 169.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -58.94 -47.94 83.26 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.473 1.509 . . . . 0.0 113.452 -177.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 pt -71.99 -25.78 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.721 1.208 . . . . 0.0 111.526 172.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.04 -41.78 99.57 Favored Glycine 0 C--N 1.335 0.528 0 C-N-CA 126.277 1.894 . . . . 0.0 112.687 172.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -57.87 -48.33 80.15 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 119.344 1.572 . . . . 0.0 110.887 169.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.3 m -62.69 -41.48 99.13 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.504 1.047 . . . . 0.0 113.118 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.61 -46.7 75.03 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.456 -0.777 . . . . 0.0 111.646 175.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.98 92.53 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.772 1.229 . . . . 0.0 112.138 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -62.53 -46.97 85.94 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.075 1.35 . . . . 0.0 112.257 172.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.3 m -61.17 -30.29 70.31 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.8 mt -95.97 6.71 48.23 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.526 1.531 . . . . 0.0 113.187 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 54.48 34.1 54.58 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 125.988 1.756 . . . . 0.0 115.355 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 50.3 mm -60.04 136.72 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 125.326 1.45 . . . . 0.0 111.233 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.27 14.88 3.23 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.025 1.33 . . . . 0.0 114.167 -177.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.93 58.86 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 127.384 2.273 . . . . 0.0 109.466 -173.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -52.79 -35.71 57.08 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 120.908 -1.12 . . . . 0.0 111.789 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.1 t -55.81 -44.96 78.34 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.927 1.691 . . . . 0.0 113.684 172.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.85 -40.54 63.21 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.319 -0.863 . . . . 0.0 111.537 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.49 -42.35 68.18 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 118.679 -0.677 . . . . 0.0 111.694 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.01 -41.21 67.73 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.806 1.243 . . . . 0.0 111.806 168.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -63.99 -34.06 88.93 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 124.768 1.175 . . . . 0.0 114.017 172.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.81 -45.56 89.07 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.268 1.534 . . . . 0.0 111.942 175.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -37.81 78.16 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.438 -0.789 . . . . 0.0 110.466 177.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.57 -43.0 99.66 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.886 0.875 . . . . 0.0 113.024 174.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -64.36 -37.0 85.97 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.947 1.299 . . . . 0.0 112.772 173.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.44 -52.52 45.54 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.803 0.841 . . . . 0.0 112.391 177.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.8 t -58.99 -48.61 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 C-N-CA 126.076 1.75 . . . . 0.0 111.813 175.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.85 -5.61 47.17 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.912 1.244 . . . . 0.0 114.279 173.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.44 -42.5 4.23 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 125.78 1.657 . . . . 0.0 112.351 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.1 t -72.16 -49.56 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 117.914 0.857 . . . . 0.0 111.489 172.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.55 166.99 28.6 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.683 1.135 . . . . 0.0 114.362 -177.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.91 157.76 31.15 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -176.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.75 -1.74 36.37 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.855 1.216 . . . . 0.0 114.371 -173.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.96 164.38 20.07 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.885 1.274 . . . . 0.0 112.454 173.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.9 t -66.64 148.91 51.25 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.02 0.528 . . . . 0.0 112.175 177.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.7 -28.44 68.64 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 170.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.9 m -66.11 -36.39 83.04 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.307 0.958 . . . . 0.0 112.387 171.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.48 -42.79 78.2 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.668 0.667 . . . . 0.0 111.433 174.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -63.45 -47.42 81.93 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.708 0.686 . . . . 0.0 112.537 171.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.12 -47.06 84.43 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.887 0.875 . . . . 0.0 111.664 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -62.74 -46.7 86.85 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 119.459 1.027 . . . . 0.0 111.959 172.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.09 -50.77 72.33 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 120.072 1.306 . . . . 0.0 111.107 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 75.8 mt -65.45 -46.16 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 124.404 1.081 . . . . 0.0 110.715 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.3 -26.99 66.8 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.255 0.934 . . . . 0.0 113.247 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -76.05 -39.0 56.47 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.373 1.069 . . . . 0.0 112.182 168.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.76 -50.46 35.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 121.037 1.744 . . . . 0.0 111.423 176.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.13 -43.81 92.02 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.836 1.254 . . . . 0.0 111.97 170.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -66.07 -44.46 91.31 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-O 118.989 -0.895 . . . . 0.0 113.007 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -62.5 -39.9 94.99 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.246 1.523 . . . . 0.0 111.715 171.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -64.06 -50.91 66.5 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.032 0.833 . . . . 0.0 111.047 177.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.6 mt -67.46 -29.09 68.45 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 120.468 -1.395 . . . . 0.0 112.767 177.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.33 -48.27 78.69 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.997 0.919 . . . . 0.0 112.398 169.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.1 p -69.65 -29.11 66.51 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.108 0.867 . . . . 0.0 113.035 176.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -72.23 -8.15 53.21 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 168.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 63.59 17.02 59.54 Favored Glycine 0 CA--C 1.538 1.477 0 O-C-N 121.029 -1.045 . . . . 0.0 114.119 -174.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.3 t -67.96 -27.61 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.935 1.294 . . . . 0.0 110.866 171.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.4 mt -92.17 133.08 36.12 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.223 1.009 . . . . 0.0 111.097 176.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -141.89 153.1 44.18 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.996 1.718 . . . . 0.0 109.775 -177.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.5 -14.04 7.0 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 174.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 49.6 t -48.67 -52.77 8.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 126.711 2.004 . . . . 0.0 111.938 170.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -172.66 30.0 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.552 1.541 . . . . 0.0 113.958 -176.348 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -50.68 -35.32 30.35 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.31 -1.494 . . . . 0.0 113.402 174.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.3 t -54.93 -64.01 0.97 Allowed 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 122.905 0.482 . . . . 0.0 110.928 170.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 44.2 m -60.32 -31.98 70.8 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 81.3 mt -62.96 -25.72 68.49 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.474 1.033 . . . . 0.0 112.885 171.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.07 -44.01 94.89 Favored Glycine 0 N--CA 1.466 0.694 0 C-N-CA 124.067 0.841 . . . . 0.0 112.986 169.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -36.35 82.54 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 172.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.84 98.75 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 119.042 0.837 . . . . 0.0 112.632 176.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.1 tt -70.8 -35.79 72.69 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.32 -0.863 . . . . 0.0 112.962 173.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.03 -36.26 83.81 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.139 -0.976 . . . . 0.0 112.687 173.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -64.54 -36.44 84.23 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.652 0.66 . . . . 0.0 111.459 169.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.77 -52.89 63.16 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.612 0.642 . . . . 0.0 111.243 172.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 68.1 mt -59.16 -35.64 73.88 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.132 0.878 . . . . 0.0 112.903 173.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.3 t -59.26 -49.73 76.7 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.099 0.96 . . . . 0.0 111.939 172.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -42.13 93.38 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 122.979 0.512 . . . . 0.0 112.23 171.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.1 m -65.73 -42.6 90.81 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -75.26 -34.72 61.4 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.163 0.985 . . . . 0.0 112.671 176.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.81 -38.05 89.67 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.377 -0.827 . . . . 0.0 111.135 168.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -64.13 -27.1 68.85 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.688 1.195 . . . . 0.0 113.211 170.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.7 m -56.06 -32.08 63.75 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 121.318 1.872 . . . . 0.0 112.581 173.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.14 -12.12 36.89 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 172.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 45.5 t -61.29 -44.06 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 CA-C-N 119.91 1.232 . . . . 0.0 111.447 170.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 50.7 m -66.71 -24.85 66.3 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.079 0.552 . . . . 0.0 112.318 175.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 45.83 42.44 11.21 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 125.764 1.65 . . . . 0.0 113.107 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -146.29 -42.65 0.2 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.296 1.839 . . . . 0.0 111.541 -171.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -53.78 -29.51 40.51 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.897 1.279 . . . . 0.0 113.705 176.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.403 ' HA ' ' HG ' ' A' ' 27' ' ' SER . 0.5 OUTLIER -80.97 14.36 2.28 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.073 1.349 . . . . 0.0 113.744 179.167 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 60.43 53.26 47.03 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 124.693 1.139 . . . . 0.0 111.605 -174.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.9 p -45.61 109.11 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.577 1.551 . . . . 0.0 112.721 -174.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 16.6 m -150.76 149.99 30.45 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.062 1.345 . . . . 0.0 110.733 -172.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -65.85 119.12 10.7 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.657 1.183 . . . . 0.0 111.494 174.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.252 1.221 0 C-N-CA 126.045 1.738 . . . . 0.0 112.344 177.128 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.2 p . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 m -65.25 -34.53 78.58 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 173.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.51 -46.11 60.58 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.362 0.665 . . . . 0.0 112.016 176.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -55.1 -48.46 73.54 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.34 1.056 . . . . 0.0 111.086 170.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.0 -28.94 69.85 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 175.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -65.88 -52.05 53.46 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 121.003 1.729 . . . . 0.0 111.797 172.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.49 -44.22 79.03 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.537 -0.727 . . . . 0.0 112.315 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.06 -48.74 77.81 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 123.312 0.645 . . . . 0.0 111.113 172.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.4 t -62.19 -41.16 98.09 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 118.338 -0.839 . . . . 0.0 111.918 176.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.4 t -54.46 -46.82 73.4 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.818 1.19 . . . . 0.0 112.132 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.7 m -75.0 -39.37 61.26 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 174.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.8 mt -68.0 -32.85 73.54 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.94 1.246 . . . . 0.0 112.65 177.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.2 -32.28 64.7 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.155 0.982 . . . . 0.0 113.194 173.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.06 -12.42 59.32 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 118.871 0.76 . . . . 0.0 112.606 172.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.2 t -88.52 83.69 6.8 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.776 1.231 . . . . 0.0 111.95 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.3 m -53.99 -26.75 27.53 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 172.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.66 -36.26 83.15 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.403 1.002 . . . . 0.0 113.217 172.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.3 mm -72.52 -41.19 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.593 0.757 . . . . 0.0 110.367 174.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -59.39 -45.36 91.67 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.46 -0.775 . . . . 0.0 111.344 173.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.58 -38.98 93.2 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 117.872 -1.061 . . . . 0.0 113.624 172.464 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.4 -49.82 69.02 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 119.984 1.265 . . . . 0.0 112.019 171.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -72.21 -29.35 63.88 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.01 -26.86 39.67 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.486 1.039 . . . . 0.0 113.305 175.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.6 t -65.5 -48.38 72.79 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.762 0.825 . . . . 0.0 112.672 177.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.2 m -66.75 146.39 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 123.447 0.699 . . . . 0.0 112.093 173.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.64 13.78 5.41 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.3 1.04 . . . . 0.0 113.518 -177.475 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.1 m -140.17 139.13 35.65 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.828 1.651 . . . . 0.0 109.654 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.86 -31.31 69.65 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 178.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.3 m -73.44 -30.49 63.24 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 172.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.27 -40.04 67.93 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.154 -0.966 . . . . 0.0 110.198 171.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.4 -45.81 82.54 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.58 0.752 . . . . 0.0 112.697 174.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.1 p -65.5 -37.09 85.77 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.433 -0.792 . . . . 0.0 111.79 175.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.6 t -68.45 -37.97 80.71 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.507 1.049 . . . . 0.0 113.642 173.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -47.05 87.7 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 120.119 1.327 . . . . 0.0 110.186 169.612 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.38 -30.41 71.55 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.045 0.938 . . . . 0.0 112.544 177.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -68.85 -53.32 22.01 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.096 0.558 . . . . 0.0 110.866 170.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -59.59 -51.64 68.97 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.395 0.998 . . . . 0.0 112.733 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.459 ' CD1' HD22 ' A' ' 111' ' ' LEU . 2.3 pp -65.35 -29.31 46.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 118.584 0.629 . . . . 0.0 112.432 177.049 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.33 -40.41 55.26 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 124.867 1.223 . . . . 0.0 113.546 175.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 73.1 mt -60.6 -44.43 96.28 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.482 1.641 . . . . 0.0 111.267 171.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.8 m -61.23 -49.07 78.61 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.317 1.047 . . . . 0.0 111.859 175.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.12 -44.84 95.76 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.716 -0.615 . . . . 0.0 112.378 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.08 -41.94 97.57 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.091 1.356 . . . . 0.0 112.271 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.2 mtp85 -66.0 -42.55 89.59 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.598 0.759 . . . . 0.0 112.719 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.7 m -63.5 -34.46 77.82 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 173.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.3 mt -86.32 -14.32 43.95 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.685 1.194 . . . . 0.0 113.686 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.44 22.78 33.36 Favored Glycine 0 CA--C 1.54 1.651 0 C-N-CA 125.141 1.353 . . . . 0.0 116.433 172.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.448 HG22 ' H ' ' A' ' 53' ' ' SER . 1.4 mp -66.62 134.73 29.63 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 C-N-CA 125.487 1.515 . . . . 0.0 111.11 -174.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.92 0.89 22.42 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.448 ' H ' HG22 ' A' ' 51' ' ' ILE . 7.3 t -149.99 57.81 0.97 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.537 1.135 . . . . 0.0 110.409 -174.13 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -52.76 -43.28 65.7 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 120.906 -1.121 . . . . 0.0 112.327 -172.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.3 p -59.46 -30.87 68.82 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.544 1.938 . . . . 0.0 114.122 175.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.05 -42.48 23.64 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.04 0.836 . . . . 0.0 112.421 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.6 tt -66.77 -49.52 65.65 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.568 1.076 . . . . 0.0 110.789 175.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.31 -34.56 75.44 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.321 0.648 . . . . 0.0 112.668 175.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -65.06 -40.61 97.13 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 124.934 1.254 . . . . 0.0 113.361 172.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.77 94.94 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 118.613 1.207 . . . . 0.0 112.198 169.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.8 mt -65.44 -37.03 85.68 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 120.011 1.278 . . . . 0.0 112.679 173.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.85 -49.56 77.0 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.992 0.917 . . . . 0.0 110.766 173.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -65.14 -32.07 73.58 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.49 -51.42 63.07 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.543 1.065 . . . . 0.0 112.183 176.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.7 t -66.84 -42.1 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.137 0.975 . . . . 0.0 111.374 177.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.55 -21.78 65.14 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 123.378 0.513 . . . . 0.0 114.314 171.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.99 -34.67 82.44 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.135 1.35 . . . . 0.0 114.239 177.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.4 t -84.42 -37.07 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 117.874 0.837 . . . . 0.0 110.662 168.153 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.08 172.19 30.05 Favored Glycine 0 CA--C 1.542 1.725 0 C-N-CA 123.718 0.675 . . . . 0.0 113.852 -174.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.06 156.19 18.56 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 -176.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.61 51.23 8.37 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 123.944 0.783 . . . . 0.0 113.408 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -137.65 164.16 29.49 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.901 1.281 . . . . 0.0 113.378 -176.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.0 t -62.08 146.26 50.89 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.268 1.027 . . . . 0.0 112.814 177.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.23 -32.67 62.47 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 167.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.3 t -65.33 -38.83 91.35 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.54 0.609 . . . . 0.0 112.437 174.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.17 -48.38 73.68 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.362 -0.836 . . . . 0.0 112.082 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -66.3 -43.63 85.74 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.737 -0.602 . . . . 0.0 112.049 175.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.69 98.21 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.588 0.755 . . . . 0.0 112.37 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -65.5 -41.93 92.67 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 118.583 -0.722 . . . . 0.0 111.3 174.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.38 86.15 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.385 0.993 . . . . 0.0 112.381 175.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 68.7 mt -60.24 -49.11 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 123.502 0.721 . . . . 0.0 110.811 174.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.04 -28.31 67.29 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.505 -0.759 . . . . 0.0 112.672 -178.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.56 -35.22 60.69 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 120.21 1.368 . . . . 0.0 112.291 170.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.83 -47.49 25.42 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.098 0.863 . . . . 0.0 112.819 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.54 -47.56 69.89 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.071 0.549 . . . . 0.0 110.329 161.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -51.76 -49.44 47.41 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 124.208 0.909 . . . . 0.0 113.809 177.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -59.3 -43.98 92.56 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.558 1.179 . . . . 0.0 111.711 173.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -66.16 -46.21 78.22 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 118.83 0.741 . . . . 0.0 112.848 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.6 mp -69.74 -28.08 65.49 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.942 1.297 . . . . 0.0 111.588 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.3 -47.04 71.79 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.417 1.008 . . . . 0.0 111.873 169.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.2 p -67.13 -25.17 66.05 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.69 1.132 . . . . 0.0 113.203 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -78.45 -11.17 59.94 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.831 1.196 . . . . 0.0 113.852 169.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.76 12.94 71.39 Favored Glycine 0 CA--C 1.537 1.41 0 CA-C-N 119.06 0.845 . . . . 0.0 114.748 -173.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.4 t -65.48 -34.0 67.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.637 1.175 . . . . 0.0 111.317 172.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.3 mt -78.81 121.18 24.47 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.748 -0.595 . . . . 0.0 111.181 173.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 34.4 p30 -150.96 158.97 44.81 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.709 2.004 . . . . 0.0 111.818 -173.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.06 -10.84 24.53 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 120.656 -1.277 . . . . 0.0 114.432 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 36.4 t -56.61 -50.19 74.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.756 1.222 . . . . 0.0 111.673 171.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -174.91 36.31 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -177.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -49.66 -32.87 14.12 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.578 -1.326 . . . . 0.0 114.145 173.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.4 t -59.72 -66.31 0.54 Allowed 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 122.768 0.427 . . . . 0.0 111.556 168.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.3 m -58.57 -27.99 65.13 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -176.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.4 -21.95 66.8 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.742 1.156 . . . . 0.0 113.469 172.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.95 -43.32 93.88 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 124.26 0.933 . . . . 0.0 112.651 169.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.4 m -59.63 -41.5 90.6 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 118.152 0.976 . . . . 0.0 111.728 167.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.58 99.24 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.414 1.006 . . . . 0.0 112.686 177.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.89 -47.95 75.98 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.095 0.861 . . . . 0.0 111.289 172.224 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.08 -33.44 67.29 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.677 1.126 . . . . 0.0 113.123 176.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -67.25 -41.34 85.75 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 119.227 0.921 . . . . 0.0 112.225 171.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.07 87.96 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.116 0.871 . . . . 0.0 112.7 171.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.459 HD22 ' CD1' ' A' ' 41' ' ' ILE . 56.1 mt -62.54 -37.46 86.18 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.534 0.734 . . . . 0.0 111.733 173.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 32.4 t -65.55 -45.09 84.74 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.021 0.928 . . . . 0.0 111.775 176.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -55.16 -46.91 75.77 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.536 0.607 . . . . 0.0 111.062 170.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 59.8 m -62.42 -41.41 98.67 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 176.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -75.19 -34.0 61.48 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.76 1.164 . . . . 0.0 113.167 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.09 -41.77 94.67 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 118.597 0.635 . . . . 0.0 111.223 165.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -58.37 -27.31 64.11 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.47 1.108 . . . . 0.0 113.457 172.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 N--CA 1.48 1.031 0 CA-C-N 121.101 1.773 . . . . 0.0 114.058 171.946 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.8 p . . . . . 0 N--CA 1.47 0.56 0 CA-C-O 119.225 -0.416 . . . . 0.0 112.088 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 m -64.59 -38.15 90.01 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.579 0.751 . . . . 0.0 112.859 174.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.47 -44.9 66.81 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.94 0.791 . . . . 0.0 112.102 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.447 ' CD1' HD21 ' A' ' 95' ' ' LEU . 58.5 t80 -58.37 -50.95 71.84 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.995 0.918 . . . . 0.0 110.691 172.186 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.59 -28.29 69.78 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 118.09 -0.957 . . . . 0.0 113.249 175.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -66.56 -54.42 23.82 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 121.169 1.804 . . . . 0.0 112.174 172.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.28 -38.53 85.21 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.719 -0.613 . . . . 0.0 111.792 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.77 -52.28 65.78 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 118.441 -0.79 . . . . 0.0 110.985 172.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.2 m -56.02 -41.08 74.39 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.257 0.935 . . . . 0.0 112.473 175.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.3 t -66.47 -50.33 63.66 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.193 0.906 . . . . 0.0 112.115 176.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.6 m -72.2 -15.75 61.95 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 pp -96.42 -28.1 14.6 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.403 1.001 . . . . 0.0 112.468 170.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.7 -30.7 71.72 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.734 1.152 . . . . 0.0 111.817 174.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.1 p -78.45 1.82 20.92 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.812 1.245 . . . . 0.0 113.936 169.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.1 m -109.84 76.17 0.98 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.117 1.767 . . . . 0.0 110.832 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.5 m -52.07 -26.35 10.79 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 176.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.2 -37.57 87.74 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 171.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.3 mt -64.6 -50.94 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.879 0.872 . . . . 0.0 109.449 172.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.0 m -60.42 -41.75 94.59 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -64.88 -42.63 94.65 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 117.724 -1.132 . . . . 0.0 112.711 172.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.6 -37.96 74.11 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 120.212 1.369 . . . . 0.0 112.017 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -75.17 -31.97 61.13 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 173.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.51 -28.65 52.17 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.52 1.055 . . . . 0.0 113.397 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.1 m -67.09 -33.18 74.93 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.447 1.499 . . . . 0.0 113.273 174.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.3 m -86.41 120.57 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 123.744 0.818 . . . . 0.0 111.548 175.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.3 m -124.69 30.27 6.0 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.609 1.564 . . . . 0.0 111.881 -178.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -144.84 137.66 26.49 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 126.985 2.114 . . . . 0.0 109.323 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.0 -35.6 77.27 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.1 m -68.25 -40.51 81.92 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 171.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.66 -44.78 85.3 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.762 0.71 . . . . 0.0 111.101 175.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.6 -38.63 84.28 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.547 1.139 . . . . 0.0 112.295 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 t -52.92 -55.31 24.27 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.888 1.275 . . . . 0.0 110.768 166.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.8 t -63.48 -27.76 69.5 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 176.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.62 -54.91 13.55 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 120.839 -1.163 . . . . 0.0 110.482 174.375 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.403 ' HB2' HG21 ' A' ' 65' ' ' VAL . . . -63.45 -26.72 68.86 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.308 0.643 . . . . 0.0 112.478 173.404 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -65.27 -52.37 54.71 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 123.58 0.752 . . . . 0.0 110.743 168.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -64.97 -44.83 88.06 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 120.849 1.658 . . . . 0.0 113.019 177.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.486 ' HA ' ' HB3' ' A' ' 114' ' ' SER . 8.6 mt -60.94 -47.3 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 124.033 0.933 . . . . 0.0 110.83 175.352 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.48 -38.71 95.1 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-O 118.698 -1.057 . . . . 0.0 113.397 176.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.73 -43.01 97.79 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 119.259 1.53 . . . . 0.0 111.747 175.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.8 t -71.93 -34.31 68.94 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.406 1.003 . . . . 0.0 111.905 -179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.78 -50.06 70.51 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.181 -0.949 . . . . 0.0 111.374 167.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.11 -47.79 82.18 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.734 1.214 . . . . 0.0 112.998 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 ptm85 -67.53 -38.67 84.58 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.404 0.682 . . . . 0.0 112.437 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.5 m -68.68 -27.83 66.32 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.987 0.915 . . . . 0.0 113.221 174.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.1 mt -90.18 -2.37 58.05 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.341 1.457 . . . . 0.0 113.375 171.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.69 30.28 76.98 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.406 1.479 . . . . 0.0 115.628 177.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.6 mm -56.6 135.09 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.986 1.315 . . . . 0.0 111.516 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.7 15.87 0.96 Allowed 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -175.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 m -173.26 65.21 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 129.104 2.962 . . . . 0.0 108.569 -176.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -54.59 -39.81 68.21 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.971 -1.081 . . . . 0.0 111.366 -178.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.3 t -54.82 -34.46 62.81 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.496 1.919 . . . . 0.0 114.397 172.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.03 -41.42 35.72 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.061 -1.025 . . . . 0.0 112.172 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.34 -55.82 18.62 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 118.418 0.553 . . . . 0.0 110.022 175.231 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.73 -38.25 77.98 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.993 1.317 . . . . 0.0 112.89 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.27 -42.47 75.0 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 124.393 0.997 . . . . 0.0 113.19 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.45 -37.93 88.34 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.818 1.309 . . . . 0.0 112.221 172.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.435 HD22 HG23 ' A' ' 81' ' ' ILE . 72.6 mt -64.7 -39.87 94.4 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.215 -0.928 . . . . 0.0 112.688 171.338 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.13 -43.32 98.71 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.528 1.131 . . . . 0.0 112.407 173.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -61.64 -36.97 82.3 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.891 1.276 . . . . 0.0 112.392 172.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.25 -49.17 70.67 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.538 0.735 . . . . 0.0 112.182 176.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.403 HG21 ' HB2' ' A' ' 38' ' ' ALA . 3.3 t -61.91 -45.67 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 123.624 0.769 . . . . 0.0 112.296 174.289 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.38 -15.2 51.53 Favored Glycine 0 CA--C 1.54 1.654 0 C-N-CA 123.857 0.741 . . . . 0.0 114.159 172.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -79.17 -32.15 40.17 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.569 1.557 . . . . 0.0 113.76 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.9 t -75.12 -50.41 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 118.511 1.155 . . . . 0.0 111.029 174.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 131.22 -159.6 23.13 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.672 1.129 . . . . 0.0 113.86 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -113.13 144.05 43.31 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.959 1.304 . . . . 0.0 111.469 173.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.44 14.28 82.12 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 124.072 0.844 . . . . 0.0 115.003 -177.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.71 174.72 6.43 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 118.619 1.209 . . . . 0.0 112.57 174.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.3 t -66.12 145.22 56.08 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.065 -1.022 . . . . 0.0 111.639 172.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.05 -43.45 40.84 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.848 0.859 . . . . 0.0 112.432 168.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.6 t -64.28 -29.19 70.29 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 177.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.43 -45.01 61.57 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 120.803 -1.186 . . . . 0.0 112.286 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -60.41 -45.35 93.92 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.253 0.621 . . . . 0.0 111.833 170.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.26 -41.9 98.86 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 123.109 0.564 . . . . 0.0 112.424 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -67.21 -39.51 86.32 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.698 0.681 . . . . 0.0 111.07 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.41 -45.42 84.62 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.36 0.982 . . . . 0.0 112.057 172.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.435 HG23 HD22 ' A' ' 61' ' ' LEU . 60.7 mt -72.11 -46.19 59.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 123.637 0.775 . . . . 0.0 111.88 178.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.52 -37.22 86.81 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.323 0.965 . . . . 0.0 112.096 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -72.47 -42.64 64.72 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 117.451 -1.261 . . . . 0.0 112.252 170.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.96 -45.87 83.91 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 121.185 1.811 . . . . 0.0 112.38 178.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.36 99.01 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.187 0.995 . . . . 0.0 111.98 170.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.91 -45.64 93.61 Favored Glycine 0 CA--C 1.526 0.76 0 C-N-CA 123.704 0.668 . . . . 0.0 113.183 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -62.78 -38.89 92.41 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.145 1.378 . . . . 0.0 111.523 171.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -62.31 -49.17 76.69 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.154 0.888 . . . . 0.0 111.197 173.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.6 mt -68.3 -22.9 64.69 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.507 -1.371 . . . . 0.0 113.375 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.79 -50.95 61.02 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 119.518 1.054 . . . . 0.0 111.521 167.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.2 p -71.15 -29.13 64.84 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -73.68 -9.36 58.59 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 167.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 67.36 19.58 70.7 Favored Glycine 0 CA--C 1.538 1.501 0 O-C-N 121.102 -0.999 . . . . 0.0 114.422 -176.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.2 t -73.75 -27.02 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.974 1.309 . . . . 0.0 111.487 173.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.447 HD21 ' CD1' ' A' ' 7' ' ' PHE . 70.3 mt -75.11 127.23 32.73 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.756 0.707 . . . . 0.0 111.652 169.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -141.58 143.51 33.75 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.365 1.866 . . . . 0.0 108.859 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.48 -15.39 6.82 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 41.6 t -49.34 -45.71 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 126.415 1.886 . . . . 0.0 112.066 167.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -165.81 26.41 0.05 OUTLIER 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -175.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -51.03 -37.8 47.51 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 120.154 -1.591 . . . . 0.0 113.377 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.47 -64.09 1.06 Allowed 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 123.473 0.709 . . . . 0.0 111.063 168.505 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.2 t -60.03 -29.04 68.24 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -174.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 66.8 mt -62.59 -23.68 67.16 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 120.242 -1.536 . . . . 0.0 113.431 169.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.33 -41.96 99.65 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 124.099 0.857 . . . . 0.0 112.192 168.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.0 t -61.73 -44.25 97.28 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 117.459 0.63 . . . . 0.0 111.431 169.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.86 -46.26 85.06 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.277 0.944 . . . . 0.0 113.483 178.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.75 -44.27 70.55 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.499 -0.75 . . . . 0.0 111.168 175.41 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.97 -33.62 72.19 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 120.608 -1.307 . . . . 0.0 113.452 175.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -66.84 -39.41 87.62 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.072 0.851 . . . . 0.0 111.432 171.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.46 -53.23 60.65 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.646 0.657 . . . . 0.0 111.23 170.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.404 HD22 HG22 ' A' ' 41' ' ' ILE . 57.2 mt -60.85 -31.29 70.74 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.01 0.924 . . . . 0.0 113.154 176.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 32.7 t -68.85 -45.53 70.84 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.292 1.037 . . . . 0.0 111.89 175.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -57.61 -41.94 82.26 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.333 0.515 . . . . 0.0 111.311 167.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.486 ' HB3' ' HA ' ' A' ' 41' ' ' ILE . 4.0 m -61.63 -42.32 98.73 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 175.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -71.66 -42.14 67.88 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.315 1.046 . . . . 0.0 112.322 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.42 -39.63 88.1 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.565 0.746 . . . . 0.0 111.74 171.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -69.55 -36.19 76.11 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.823 0.849 . . . . 0.0 113.107 171.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.472 0.66 0 O-C-N 121.035 -1.041 . . . . 0.0 110.737 173.518 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.471 0.625 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -65.26 -35.36 80.8 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.583 0.753 . . . . 0.0 112.049 174.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.452 ' HB1' ' HB3' ' A' ' 101' ' ' SER . . . -70.5 -43.54 69.48 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.648 0.779 . . . . 0.0 111.513 177.06 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -56.87 -48.31 78.42 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.127 0.971 . . . . 0.0 110.832 170.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.18 -33.5 74.64 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 174.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -61.74 -53.22 58.93 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 120.623 1.556 . . . . 0.0 112.265 176.003 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.46 -41.23 80.53 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.817 0.735 . . . . 0.0 112.07 178.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.61 -51.66 68.86 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 119.281 -0.39 . . . . 0.0 111.326 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.2 m -62.29 -34.09 75.91 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 118.073 -0.965 . . . . 0.0 113.015 173.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 m -58.24 -46.41 86.0 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 120.788 1.631 . . . . 0.0 112.037 171.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.8 t -70.44 -52.14 24.37 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.337 0.517 . . . . 0.0 111.489 174.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.8 mt -61.34 -32.4 72.28 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 120.393 -1.442 . . . . 0.0 113.387 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.53 -25.7 61.48 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.504 1.122 . . . . 0.0 113.656 172.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.97 -20.32 27.46 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.176 0.991 . . . . 0.0 112.389 173.515 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.8 m -88.86 80.35 7.16 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.301 1.841 . . . . 0.0 111.845 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.8 m -54.39 -26.83 32.56 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 120.766 -1.209 . . . . 0.0 114.018 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.52 -27.98 51.98 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.052 1.131 . . . . 0.0 114.052 172.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.49 HD11 ' HA ' ' A' ' 112' ' ' SER . 26.3 mm -73.64 -45.29 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.879 1.271 . . . . 0.0 110.574 175.23 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.439 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . 29.8 t -56.61 -44.64 81.36 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 123.159 0.584 . . . . 0.0 111.289 171.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -62.02 -44.36 96.88 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.971 1.308 . . . . 0.0 112.679 176.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.66 95.95 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 118.98 0.809 . . . . 0.0 112.429 174.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -79.05 -22.16 45.76 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 177.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.3 -23.86 27.94 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.815 1.246 . . . . 0.0 112.89 174.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.8 t -56.09 -44.68 79.26 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.098 0.959 . . . . 0.0 111.576 168.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.9 m -83.43 144.98 9.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 123.827 0.851 . . . . 0.0 111.719 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.0 m -124.98 17.53 8.52 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.601 1.56 . . . . 0.0 112.163 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.7 t -138.01 140.16 40.01 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.243 1.417 . . . . 0.0 110.352 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.25 -43.35 98.27 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 122.844 0.457 . . . . 0.0 110.677 -177.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.4 m -60.23 -36.9 78.77 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 172.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.94 -42.32 85.5 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.281 0.946 . . . . 0.0 111.713 175.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.3 -42.8 96.18 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.139 0.575 . . . . 0.0 112.105 172.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.5 m -57.32 -48.53 78.72 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.627 1.171 . . . . 0.0 111.843 173.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.5 m -66.24 -31.44 72.27 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.931 0.893 . . . . 0.0 113.342 175.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mt -65.11 -51.74 59.53 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.715 1.143 . . . . 0.0 110.999 171.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.61 -33.47 68.26 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.345 1.058 . . . . 0.0 112.22 174.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.421 ' HA ' ' HB1' ' A' ' 58' ' ' ALA . 14.0 t80 -67.88 -51.32 49.42 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.893 0.877 . . . . 0.0 111.892 172.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -58.96 -52.34 66.18 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.555 1.142 . . . . 0.0 112.572 178.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.7 pt -69.94 -33.4 55.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 O-C-N 121.829 -0.545 . . . . 0.0 111.683 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.33 -41.77 96.45 Favored Glycine 0 CA--C 1.526 0.735 0 C-N-CA 125.13 1.348 . . . . 0.0 112.541 174.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mp -60.03 -41.96 93.35 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.994 1.397 . . . . 0.0 112.329 171.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.3 t -64.05 -50.16 69.5 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.739 0.7 . . . . 0.0 111.754 175.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.5 95.57 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.596 -0.69 . . . . 0.0 112.29 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.32 94.91 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.502 1.121 . . . . 0.0 112.744 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -62.25 -43.57 98.53 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.066 0.946 . . . . 0.0 111.993 171.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.8 m -64.0 -30.01 71.12 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 173.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.4 mt -93.62 5.65 50.91 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.672 1.589 . . . . 0.0 113.232 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.52 29.95 64.49 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 125.653 1.597 . . . . 0.0 115.3 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.441 HG22 ' H ' ' A' ' 53' ' ' SER . 44.3 mm -60.53 136.0 24.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.374 1.469 . . . . 0.0 111.318 -176.31 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.12 11.57 2.73 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -175.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.441 ' H ' HG22 ' A' ' 51' ' ' ILE . 1.6 m -175.17 68.23 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 129.044 2.938 . . . . 0.0 108.82 -176.284 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -51.31 -41.79 60.75 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 121.227 -0.92 . . . . 0.0 111.209 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.2 p -60.5 -29.53 69.15 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 127.915 2.486 . . . . 0.0 114.479 177.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.53 -40.94 15.76 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 119.358 0.981 . . . . 0.0 111.803 175.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -57.66 11.86 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.895 0.878 . . . . 0.0 109.721 174.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.421 ' HB1' ' HA ' ' A' ' 39' ' ' TYR . . . -69.17 -27.49 65.57 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.401 1.48 . . . . 0.0 112.987 178.633 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -63.87 -42.25 98.48 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 124.187 0.899 . . . . 0.0 112.486 171.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.9 -40.31 95.0 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 117.966 0.883 . . . . 0.0 111.937 170.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.2 mt -66.27 -40.48 90.15 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.82 0.737 . . . . 0.0 112.68 175.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.58 -48.86 79.89 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.218 1.007 . . . . 0.0 111.269 173.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -65.87 -28.81 69.24 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 175.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.77 -48.15 60.3 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.313 0.96 . . . . 0.0 112.123 173.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.6 t -64.71 -49.69 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.821 1.248 . . . . 0.0 112.224 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.46 -19.05 68.4 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 123.772 0.701 . . . . 0.0 113.69 173.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.23 -37.94 87.17 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.482 1.515 . . . . 0.0 113.571 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.3 t -76.4 -48.4 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 117.97 0.885 . . . . 0.0 110.837 172.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 118.43 179.16 17.06 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.232 1.396 . . . . 0.0 113.652 178.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.08 155.89 39.8 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.577 -0.955 . . . . 0.0 112.748 174.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.33 9.19 57.33 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.216 0.912 . . . . 0.0 115.022 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.99 166.32 16.06 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 118.343 1.072 . . . . 0.0 111.89 173.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 32.7 t -67.94 151.06 47.72 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.512 -0.743 . . . . 0.0 111.636 174.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.439 ' HB2' ' HA ' ' A' ' 22' ' ' SER . . . -54.02 -40.53 67.12 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 123.374 0.67 . . . . 0.0 112.211 168.117 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.8 t -62.13 -36.69 82.54 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 123.347 0.659 . . . . 0.0 111.856 174.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.73 -46.38 72.33 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.654 1.116 . . . . 0.0 112.259 175.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -64.26 -47.67 78.69 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.131 0.878 . . . . 0.0 112.442 175.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.36 -42.49 98.88 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.425 1.09 . . . . 0.0 112.342 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -64.53 -44.34 91.15 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 119.397 0.999 . . . . 0.0 111.201 172.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.69 -43.59 93.98 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.293 0.951 . . . . 0.0 111.325 177.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 54.7 mt -64.76 -48.12 85.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 124.386 1.074 . . . . 0.0 111.694 171.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.82 -31.11 71.88 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.382 0.992 . . . . 0.0 112.953 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.4 mmm-85 -80.64 -36.92 31.88 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.711 1.604 . . . . 0.0 112.203 171.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.89 -52.83 25.34 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 120.447 1.476 . . . . 0.0 111.291 174.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.35 -44.62 88.85 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.555 1.142 . . . . 0.0 111.598 169.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.07 -50.77 62.17 Favored Glycine 0 CA--C 1.524 0.613 0 CA-C-O 119.172 -0.794 . . . . 0.0 112.913 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -63.17 -42.1 99.34 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.759 1.279 . . . . 0.0 111.954 174.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -63.2 -52.06 63.81 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.819 1.19 . . . . 0.0 111.166 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 38.3 mt -67.57 -26.94 66.53 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 120.391 -1.443 . . . . 0.0 112.58 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.35 -47.58 70.0 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.379 0.991 . . . . 0.0 112.591 168.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 64.1 p -69.13 -28.82 66.8 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.249 0.931 . . . . 0.0 112.859 177.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -75.52 -10.14 59.18 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 167.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 62.26 22.6 63.33 Favored Glycine 0 CA--C 1.539 1.572 0 O-C-N 121.1 -1.0 . . . . 0.0 114.344 -174.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.9 t -66.99 -37.16 78.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.775 1.23 . . . . 0.0 110.989 173.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 pp -95.31 155.52 16.7 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.567 1.147 . . . . 0.0 111.497 170.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -148.71 152.69 37.07 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.809 1.644 . . . . 0.0 108.812 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.57 -20.13 2.78 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 58.1 t -42.93 -48.54 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 127.234 2.214 . . . . 0.0 112.586 166.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -160.36 24.44 0.16 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.175 1.39 . . . . 0.0 113.409 -176.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.22 -39.41 63.74 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 120.61 -1.306 . . . . 0.0 112.68 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.452 ' HB3' ' HB1' ' A' ' 6' ' ' ALA . 14.0 p -63.49 -58.62 6.44 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 117.909 0.322 . . . . 0.0 110.77 171.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.37 -37.14 64.62 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 47.0 mt -68.23 -23.1 64.77 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 120.989 -1.069 . . . . 0.0 113.662 174.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.56 -47.04 91.13 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 123.653 0.644 . . . . 0.0 111.845 167.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.1 m -62.88 -37.33 86.45 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 117.673 0.736 . . . . 0.0 112.661 170.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.2 -47.03 84.26 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 119.735 1.152 . . . . 0.0 112.886 177.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.4 tt -66.27 -40.88 90.44 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.32 -0.863 . . . . 0.0 111.876 171.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.68 -34.81 77.89 Favored 'General case' 0 C--O 1.224 -0.25 0 O-C-N 121.423 -0.798 . . . . 0.0 112.262 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -66.31 -37.78 86.19 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.092 0.86 . . . . 0.0 111.859 170.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.35 -47.04 80.87 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.43 1.014 . . . . 0.0 112.568 174.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 73.0 mt -67.32 -33.22 74.81 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.456 -0.778 . . . . 0.0 112.174 172.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.49 ' HA ' HD11 ' A' ' 21' ' ' ILE . 21.0 t -64.05 -46.11 85.83 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.721 174.115 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.68 -33.53 70.24 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.662 1.119 . . . . 0.0 112.91 171.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.3 t -78.74 -43.06 26.54 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.535 1.134 . . . . 0.0 113.254 -177.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.56 -44.73 81.53 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.133 -0.979 . . . . 0.0 111.47 168.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.85 -27.32 66.56 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.366 1.066 . . . . 0.0 112.651 172.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.28 -54.99 24.55 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 119.736 1.153 . . . . 0.0 111.876 175.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.5 t . . . . . 0 N--CA 1.469 0.513 0 CA-C-N 117.738 0.244 . . . . 0.0 110.803 174.027 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.2 p . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 113.102 0.778 . . . . 0.0 113.102 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.2 m -63.53 -39.47 94.5 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.046 0.939 . . . . 0.0 112.924 173.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.67 -42.56 58.25 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.506 0.722 . . . . 0.0 111.186 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -54.41 -49.28 70.3 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.984 0.914 . . . . 0.0 110.607 170.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.08 -22.12 66.91 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 173.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -50.37 49.34 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 121.296 1.862 . . . . 0.0 111.115 172.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.58 -38.09 67.99 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.899 0.48 . . . . 0.0 110.391 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.83 -49.84 76.2 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 117.549 -1.215 . . . . 0.0 111.391 168.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.3 m -57.1 -41.48 79.0 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 121.022 1.737 . . . . 0.0 112.837 173.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.7 t -59.81 -46.61 88.67 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.267 0.94 . . . . 0.0 111.89 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.0 m -69.54 -50.3 46.26 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 173.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.91 -36.33 81.04 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.508 1.523 . . . . 0.0 113.049 -175.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.3 -25.77 63.48 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.841 0.857 . . . . 0.0 112.997 172.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.29 -32.17 33.28 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.775 1.63 . . . . 0.0 112.289 171.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.9 m -67.13 72.19 0.1 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 127.539 2.336 . . . . 0.0 112.385 176.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.3 t -53.01 -32.57 47.36 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.407 1.083 . . . . 0.0 112.895 177.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.22 -39.85 84.01 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 170.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 60.4 mt -74.66 -46.26 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.442 1.097 . . . . 0.0 110.555 176.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.4 m -60.01 -42.6 94.67 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.828 0.74 . . . . 0.0 112.487 176.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.4 mtm-85 -70.23 -35.96 74.19 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 117.487 -1.244 . . . . 0.0 113.158 173.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -44.39 94.42 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 120.718 1.599 . . . . 0.0 111.733 171.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -66.69 -35.05 79.23 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 174.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.0 -27.6 54.73 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.233 0.924 . . . . 0.0 113.184 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.0 t -68.53 -42.28 78.71 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.476 1.51 . . . . 0.0 112.163 176.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.4 m -74.75 141.78 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-O 121.482 0.658 . . . . 0.0 112.272 174.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -127.86 18.77 6.67 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.254 1.422 . . . . 0.0 112.468 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.0 m -142.79 139.13 30.85 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.116 1.766 . . . . 0.0 110.306 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.35 -36.15 75.2 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.325 0.65 . . . . 0.0 112.219 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.96 -27.25 63.6 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 172.342 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.11 -42.31 60.26 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 120.827 -1.17 . . . . 0.0 110.648 174.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.61 93.71 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.987 -0.445 . . . . 0.0 111.882 169.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.3 p -64.71 -38.27 90.43 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.136 0.88 . . . . 0.0 111.765 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.1 t -63.89 -44.65 92.38 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.522 1.129 . . . . 0.0 112.534 173.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.57 -46.85 84.0 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.461 1.028 . . . . 0.0 110.763 174.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.85 -31.69 72.76 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.397 1.079 . . . . 0.0 112.548 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -72.11 -46.11 57.97 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.096 0.958 . . . . 0.0 111.51 172.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -59.71 -54.22 48.84 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.262 0.937 . . . . 0.0 112.513 175.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.8 pt -69.15 -30.09 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 O-C-N 121.672 -0.642 . . . . 0.0 111.588 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.18 -40.13 82.42 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 124.57 1.081 . . . . 0.0 112.594 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mp -58.58 -48.94 79.27 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.822 1.249 . . . . 0.0 111.126 169.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.0 t -63.84 -41.5 97.8 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 177.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.99 -48.01 75.51 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.693 0.797 . . . . 0.0 111.148 176.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.18 97.02 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.561 1.144 . . . . 0.0 112.621 177.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -63.27 -44.34 95.38 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 119.448 1.022 . . . . 0.0 112.734 171.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 t -64.44 -42.02 96.24 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.068 0.947 . . . . 0.0 112.475 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.5 mt -75.59 -27.68 58.63 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.659 1.584 . . . . 0.0 113.522 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.89 27.19 8.48 Favored Glycine 0 CA--C 1.54 1.601 0 C-N-CA 125.159 1.362 . . . . 0.0 115.531 174.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.521 HG22 ' H ' ' A' ' 53' ' ' SER . 1.8 mp -68.34 132.26 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 125.123 1.369 . . . . 0.0 110.4 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.76 12.23 1.13 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 126.118 1.767 . . . . 0.0 115.188 -178.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.521 ' H ' HG22 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -165.65 52.72 0.1 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.418 1.887 . . . . 0.0 110.374 -171.759 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.3 p-10 -49.83 -41.88 45.91 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.996 -1.065 . . . . 0.0 113.229 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.4 p -61.43 -29.65 70.08 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.351 1.46 . . . . 0.0 114.445 174.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.37 -39.89 15.97 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.262 0.937 . . . . 0.0 112.018 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -58.27 9.19 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.319 1.047 . . . . 0.0 109.638 174.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.11 -29.38 69.69 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.305 1.042 . . . . 0.0 112.462 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -63.44 -46.87 91.59 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 123.877 0.751 . . . . 0.0 112.392 172.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.4 -40.34 96.18 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.803 -0.822 . . . . 0.0 112.131 172.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.58 -42.65 99.68 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.004 0.82 . . . . 0.0 112.35 173.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.7 -43.6 97.57 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.563 1.145 . . . . 0.0 112.011 176.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -68.92 -36.63 78.21 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 174.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.05 97.29 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.014 0.824 . . . . 0.0 112.313 173.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.5 t -60.02 -48.53 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 125.392 1.477 . . . . 0.0 111.533 172.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.31 -24.39 55.51 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 123.797 0.713 . . . . 0.0 114.147 173.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.64 -30.07 68.99 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.21 1.386 . . . . 0.0 114.479 174.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 67.5 t -79.76 -48.63 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 118.559 1.179 . . . . 0.0 111.157 175.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.42 162.55 31.43 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.577 1.084 . . . . 0.0 114.653 -176.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.55 160.07 32.2 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 -173.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.06 -10.53 9.54 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.213 1.387 . . . . 0.0 114.404 -174.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.27 160.29 16.1 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.659 1.184 . . . . 0.0 111.895 169.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.0 t -59.65 149.35 30.71 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.424 0.69 . . . . 0.0 112.261 177.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.05 -36.51 65.63 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.841 -0.537 . . . . 0.0 111.574 167.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 m -61.35 -34.54 75.45 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 172.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.62 -46.77 65.48 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 120.33 1.423 . . . . 0.0 111.811 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -63.7 -49.23 73.92 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.957 0.503 . . . . 0.0 112.307 173.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.59 -43.44 93.69 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.289 1.036 . . . . 0.0 111.698 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -62.2 -45.98 90.97 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-O 118.032 -0.985 . . . . 0.0 111.851 172.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.24 90.63 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 120.293 1.406 . . . . 0.0 112.817 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 53.8 mt -67.18 -45.46 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 123.609 0.764 . . . . 0.0 111.158 172.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.66 -34.45 77.12 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.172 0.896 . . . . 0.0 112.681 175.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -66.92 -42.62 85.06 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.022 1.729 . . . . 0.0 111.653 168.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.6 -34.72 46.55 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.055 1.298 . . . . 0.0 112.934 -174.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.29 -47.85 72.28 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.842 0.857 . . . . 0.0 110.937 164.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.25 -48.44 86.11 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 124.91 1.243 . . . . 0.0 113.668 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -63.52 -34.04 76.9 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.225 1.512 . . . . 0.0 111.799 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -65.75 -49.09 69.64 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.464 0.575 . . . . 0.0 110.207 174.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.6 mt -66.2 -24.19 66.57 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 120.999 -1.063 . . . . 0.0 113.046 173.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.77 -50.2 58.34 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 120.823 -1.173 . . . . 0.0 111.555 170.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 62.7 p -71.43 -27.29 63.18 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.451 -0.78 . . . . 0.0 113.071 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -77.1 -5.15 47.83 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 168.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 67.97 26.42 73.98 Favored Glycine 0 CA--C 1.539 1.539 0 CA-C-N 119.572 1.078 . . . . 0.0 114.379 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 40.8 t -85.99 -30.72 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.743 1.617 . . . . 0.0 111.805 175.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 24.9 mt -71.05 117.35 12.44 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.397 0.999 . . . . 0.0 110.315 169.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -137.87 151.88 48.49 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.491 1.516 . . . . 0.0 110.159 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.02 -13.73 5.22 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 173.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 41.6 t -47.81 -49.72 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 126.642 1.977 . . . . 0.0 111.879 168.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -174.93 32.94 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.529 1.531 . . . . 0.0 114.495 -176.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -49.51 -35.7 20.87 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 120.108 -1.62 . . . . 0.0 113.572 176.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.0 t -59.84 -61.81 2.34 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.361 0.665 . . . . 0.0 111.473 169.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -29.31 70.28 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -176.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.45 -28.31 69.72 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 120.796 -1.19 . . . . 0.0 112.889 170.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.45 -39.85 94.22 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 123.78 0.705 . . . . 0.0 112.43 171.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.41 -43.62 96.52 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 118.864 -0.589 . . . . 0.0 111.49 167.562 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.46 -46.21 89.4 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.67 1.123 . . . . 0.0 112.884 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -67.32 -44.58 78.79 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.611 -0.68 . . . . 0.0 111.792 177.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.46 -32.92 74.58 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 120.991 -1.068 . . . . 0.0 113.22 177.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -66.37 -37.76 86.03 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.992 0.815 . . . . 0.0 111.407 170.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.6 -45.94 84.8 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.936 0.789 . . . . 0.0 112.489 173.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 53.9 mt -64.39 -36.3 83.71 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.481 -0.762 . . . . 0.0 112.382 172.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 34.9 t -62.48 -42.49 99.52 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.141 0.976 . . . . 0.0 112.069 173.175 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.29 -47.31 78.9 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.981 0.912 . . . . 0.0 111.294 171.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 51.9 m -70.82 -30.2 66.56 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -75.41 -37.86 60.19 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.218 1.007 . . . . 0.0 112.353 174.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.82 -39.09 90.57 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.724 -0.61 . . . . 0.0 111.19 166.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -64.53 -34.07 77.37 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 170.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.478 0.942 0 O-C-N 120.638 -1.289 . . . . 0.0 112.738 172.311 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.468 0.434 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -69.63 -35.8 75.57 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 121.128 -0.982 . . . . 0.0 112.426 175.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.24 -48.49 75.57 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.728 0.811 . . . . 0.0 111.089 174.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -56.26 -49.41 74.27 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.54 1.536 . . . . 0.0 111.22 172.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.63 -19.17 63.52 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.333 1.235 . . . . 0.0 114.333 172.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -54.77 7.08 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 120.912 1.687 . . . . 0.0 111.533 174.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.2 -37.54 81.01 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.265 -0.897 . . . . 0.0 111.719 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.3 -51.69 68.46 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 117.785 -1.102 . . . . 0.0 110.383 172.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.2 t -55.47 -42.83 74.89 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 120.78 1.627 . . . . 0.0 112.352 173.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.6 t -58.18 -43.59 87.6 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.141 0.882 . . . . 0.0 112.486 177.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.7 t -75.82 -48.1 22.97 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.068 0.947 . . . . 0.0 112.531 176.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.4 HD13 ' HB1' ' A' ' 78' ' ' ALA . 59.9 mt -58.94 -36.5 74.88 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.994 1.717 . . . . 0.0 112.209 178.317 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.17 -16.88 62.55 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.378 1.471 . . . . 0.0 114.26 173.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.3 p -107.58 0.94 22.93 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.194 1.397 . . . . 0.0 112.355 173.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.6 m -89.06 74.53 8.07 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 126.547 1.939 . . . . 0.0 110.963 174.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.2 m -53.15 -29.86 33.7 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.68 94.7 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.167 0.894 . . . . 0.0 113.104 171.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.8 mt -69.68 -46.65 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 124.039 0.936 . . . . 0.0 109.933 175.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.8 m -60.07 -41.18 91.84 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -40.22 75.65 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 117.587 -1.197 . . . . 0.0 113.075 173.241 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.88 -44.15 94.36 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 120.388 1.449 . . . . 0.0 111.411 174.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -72.92 -30.75 64.14 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 176.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.98 -26.28 43.37 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 119.548 1.067 . . . . 0.0 113.008 172.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.3 t -65.73 -42.24 91.26 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.441 1.496 . . . . 0.0 111.855 174.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.8 m -75.94 140.06 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 121.412 0.625 . . . . 0.0 111.601 173.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.0 m -126.6 19.1 7.37 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.301 1.44 . . . . 0.0 112.279 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.9 t -136.68 137.14 39.7 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.538 1.535 . . . . 0.0 110.161 177.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.5 -33.98 70.42 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.217 0.607 . . . . 0.0 112.036 176.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 t -68.68 -39.95 80.35 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.556 0.743 . . . . 0.0 112.155 174.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.91 -45.2 86.89 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.287 -0.883 . . . . 0.0 111.861 175.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.16 -43.35 98.54 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.779 -0.576 . . . . 0.0 112.08 173.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.6 t -57.02 -49.81 74.65 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.198 1.399 . . . . 0.0 111.875 173.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.7 m -63.13 -39.65 95.3 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.472 1.109 . . . . 0.0 113.231 175.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.48 -50.27 65.96 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.405 1.002 . . . . 0.0 110.358 173.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.4 -32.09 73.43 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 120.828 -1.17 . . . . 0.0 113.023 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -61.5 -57.68 11.17 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.757 1.223 . . . . 0.0 110.945 166.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -59.22 -41.33 88.37 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.937 1.295 . . . . 0.0 113.938 -178.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.8 mm -69.5 -38.39 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.413 1.485 . . . . 0.0 110.561 173.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.43 -35.58 66.72 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 125.944 1.735 . . . . 0.0 114.459 169.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -59.51 -48.94 79.71 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 120.444 2.122 . . . . 0.0 111.519 173.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.2 m -68.1 -41.06 82.37 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.717 -0.614 . . . . 0.0 112.028 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.84 -44.83 91.05 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.732 0.696 . . . . 0.0 111.348 173.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.79 -40.04 96.08 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.688 1.195 . . . . 0.0 113.027 175.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -64.55 -45.57 86.55 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.534 1.061 . . . . 0.0 112.412 172.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.2 m -62.26 -23.36 66.65 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.604 1.162 . . . . 0.0 113.643 175.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.9 mt -105.05 5.93 32.9 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.954 1.702 . . . . 0.0 112.85 177.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.31 32.06 63.38 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.972 1.748 . . . . 0.0 115.673 177.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.42 HG22 ' H ' ' A' ' 53' ' ' SER . 38.6 mm -62.27 130.23 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.974 1.31 . . . . 0.0 111.32 -176.47 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.34 14.51 1.2 Allowed 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 125.893 1.677 . . . . 0.0 115.197 -177.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.42 ' H ' HG22 ' A' ' 51' ' ' ILE . 1.3 m -170.77 62.7 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 128.87 2.868 . . . . 0.0 109.03 -177.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.8 p30 -53.13 -30.42 36.72 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 120.963 -1.086 . . . . 0.0 113.532 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.9 t -59.41 -41.33 89.23 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.997 1.719 . . . . 0.0 113.579 170.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.23 -39.01 55.6 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.234 -0.916 . . . . 0.0 111.648 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -51.8 59.03 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 122.982 0.513 . . . . 0.0 110.933 175.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.42 -38.12 79.81 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.827 0.851 . . . . 0.0 112.141 174.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.98 -46.83 92.73 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 124.175 0.893 . . . . 0.0 113.329 173.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.63 -38.99 93.23 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 118.509 1.155 . . . . 0.0 112.379 174.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.43 -37.71 88.47 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.806 1.242 . . . . 0.0 112.708 172.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.8 91.87 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.375 1.07 . . . . 0.0 111.694 173.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -63.95 -34.47 78.04 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.722 0.809 . . . . 0.0 112.67 173.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.97 -53.26 59.45 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.505 0.722 . . . . 0.0 111.832 175.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.6 t -66.88 -43.98 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.87 0.868 . . . . 0.0 112.455 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.09 -25.19 64.06 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.236 0.922 . . . . 0.0 113.573 174.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.07 -41.1 99.67 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.347 1.451 . . . . 0.0 113.602 174.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.6 t -87.19 -47.53 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-N 117.904 0.852 . . . . 0.0 111.099 173.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.57 163.78 8.81 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 125.765 1.65 . . . . 0.0 114.87 -177.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.09 132.03 52.81 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 121.53 -0.982 . . . . 0.0 113.452 -176.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 136.49 -39.49 1.64 Allowed Glycine 0 CA--C 1.535 1.339 0 C-N-CA 126.128 1.823 . . . . 0.0 113.604 177.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.32 169.81 5.4 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.528 1.131 . . . . 0.0 113.029 171.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 78.8 p -68.28 158.36 33.55 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.198 -0.939 . . . . 0.0 112.45 173.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.46 -29.94 64.64 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.64 -0.663 . . . . 0.0 112.704 170.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.0 t -59.63 -38.36 81.12 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.68 0.792 . . . . 0.0 112.602 172.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.78 -42.93 94.69 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.905 1.229 . . . . 0.0 112.415 176.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -68.67 -43.41 76.23 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.593 0.757 . . . . 0.0 111.668 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.4 ' HB1' HD13 ' A' ' 15' ' ' LEU . . . -56.98 -39.87 75.45 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.802 1.241 . . . . 0.0 111.854 171.368 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -64.79 -49.5 70.43 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.904 0.774 . . . . 0.0 111.257 173.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.07 -44.03 96.92 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.612 0.642 . . . . 0.0 111.788 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 43.3 mt -60.13 -53.67 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.577 1.551 . . . . 0.0 110.933 173.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.86 -22.94 64.18 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -81.2 -33.98 32.58 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.395 1.078 . . . . 0.0 113.416 167.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.57 -51.82 15.58 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 120.776 1.626 . . . . 0.0 110.924 176.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.48 -44.66 92.98 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.14 0.976 . . . . 0.0 111.346 168.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.75 -48.69 82.54 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-O 118.895 -0.947 . . . . 0.0 113.104 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -62.57 -44.92 95.13 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 119.141 1.47 . . . . 0.0 111.678 174.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -64.76 -48.62 73.86 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.159 0.891 . . . . 0.0 111.872 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.2 mt -69.02 -27.15 65.41 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.542 -1.349 . . . . 0.0 112.526 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.28 -47.21 71.3 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.481 1.037 . . . . 0.0 112.221 168.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 61.9 p -69.06 -30.66 69.04 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.318 0.963 . . . . 0.0 112.815 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -74.9 -8.66 57.12 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 168.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 61.73 21.27 60.53 Favored Glycine 0 CA--C 1.539 1.572 0 O-C-N 121.138 -0.976 . . . . 0.0 114.365 -174.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.5 t -64.83 -35.16 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.706 1.203 . . . . 0.0 110.835 172.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 pp -105.7 151.28 24.62 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.566 1.146 . . . . 0.0 111.531 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -150.87 152.84 34.28 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.062 1.745 . . . . 0.0 108.617 -175.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.93 -19.36 2.53 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 58.7 t -44.92 -48.2 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 127.169 2.187 . . . . 0.0 112.587 167.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -161.25 29.44 0.14 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.332 1.453 . . . . 0.0 113.163 -176.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.34 -41.17 68.77 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 120.763 -1.211 . . . . 0.0 112.67 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.6 p -59.16 -59.89 4.74 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 123.148 0.579 . . . . 0.0 111.647 167.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -36.06 63.93 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -177.091 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 76.1 mt -66.34 -25.8 66.99 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.695 1.198 . . . . 0.0 114.009 173.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.77 -42.32 94.41 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 123.762 0.696 . . . . 0.0 112.059 167.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -33.28 75.3 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 171.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.36 -47.57 72.98 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 119.061 0.846 . . . . 0.0 112.543 176.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.03 -39.36 83.1 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.224 -0.922 . . . . 0.0 112.135 172.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.32 -37.08 85.85 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 119.421 1.009 . . . . 0.0 111.887 175.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -64.52 -34.64 78.71 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.312 0.96 . . . . 0.0 112.552 168.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.05 -47.33 71.65 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 120.317 1.417 . . . . 0.0 112.665 175.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 29.4 mt -65.54 -39.82 92.18 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.253 1.021 . . . . 0.0 111.418 172.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 34.4 t -69.59 -42.97 73.75 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.594 1.158 . . . . 0.0 113.344 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -56.04 -44.96 79.32 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.761 1.164 . . . . 0.0 110.601 173.121 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.9 t -66.77 -47.66 71.46 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 176.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.68 -35.23 78.46 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.694 1.134 . . . . 0.0 113.361 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.64 -43.73 95.92 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.584 1.154 . . . . 0.0 111.612 170.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -66.02 -33.74 76.5 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.558 -0.714 . . . . 0.0 112.536 171.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 N--CA 1.47 0.536 0 O-C-N 120.567 -1.333 . . . . 0.0 111.648 174.367 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.2 p . . . . . 0 N--CA 1.471 0.614 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 t -67.51 -38.06 83.72 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.363 0.665 . . . . 0.0 111.82 174.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.52 -44.44 82.47 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.446 1.021 . . . . 0.0 111.849 172.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.422 ' CD1' HD21 ' A' ' 95' ' ' LEU . 62.1 t80 -58.56 -49.6 76.85 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 120.994 -1.066 . . . . 0.0 110.238 173.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.1 -29.05 70.49 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-O 117.807 -1.092 . . . . 0.0 113.17 174.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -65.37 -56.22 13.77 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 121.583 1.992 . . . . 0.0 111.477 175.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.65 -41.48 88.19 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.485 0.584 . . . . 0.0 111.618 178.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.81 -52.79 64.01 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 117.684 -1.151 . . . . 0.0 110.58 174.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.3 m -58.9 -35.67 73.42 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 120.669 1.577 . . . . 0.0 113.033 174.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.34 -44.96 92.58 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.492 1.042 . . . . 0.0 111.453 175.38 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.6 t -73.34 -51.4 17.57 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.731 0.812 . . . . 0.0 112.079 174.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.6 mt -57.96 -36.64 72.84 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.247 2.219 . . . . 0.0 113.19 -178.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.07 -27.01 61.48 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 124.342 1.057 . . . . 0.0 113.104 173.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.7 -28.97 36.52 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.828 1.651 . . . . 0.0 112.413 172.133 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.2 m -70.52 74.77 0.56 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 127.085 2.154 . . . . 0.0 112.453 177.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.3 m -52.63 -31.56 37.39 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.958 0.903 . . . . 0.0 113.202 175.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.32 -39.85 94.39 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.304 0.957 . . . . 0.0 113.187 172.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 64.2 mt -70.27 -46.06 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 124.117 0.967 . . . . 0.0 110.146 175.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.1 t -59.36 -43.37 92.86 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.031 0.532 . . . . 0.0 111.776 175.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -62.61 -43.99 97.43 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 117.752 -1.118 . . . . 0.0 113.183 171.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.44 -43.82 93.04 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 120.413 1.46 . . . . 0.0 111.79 175.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -65.51 -36.14 82.97 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.67 -26.06 50.05 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 174.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.8 t -66.82 -42.69 85.46 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 125.457 1.503 . . . . 0.0 111.867 177.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.8 m -74.85 148.38 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 O-C-N 121.955 -0.466 . . . . 0.0 112.091 171.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.7 p -136.76 19.11 3.05 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.222 1.409 . . . . 0.0 113.015 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.32 137.23 38.73 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.704 2.002 . . . . 0.0 109.747 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.08 -36.69 77.95 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.927 -0.483 . . . . 0.0 112.233 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 m -70.24 -31.3 68.64 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 171.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.64 -40.7 72.92 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 120.427 -1.421 . . . . 0.0 110.672 173.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.9 -42.15 90.58 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.734 0.813 . . . . 0.0 111.623 171.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.8 p -61.59 -41.6 97.66 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 120.938 -1.101 . . . . 0.0 111.066 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.4 t -69.19 -38.96 78.91 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.797 1.239 . . . . 0.0 113.265 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.83 -45.75 91.15 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.538 -1.351 . . . . 0.0 110.586 173.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.05 -27.9 65.02 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.411 0.684 . . . . 0.0 112.121 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -63.46 -53.44 52.11 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 123.721 0.808 . . . . 0.0 110.308 168.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.35 -45.38 84.41 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 120.39 -1.444 . . . . 0.0 113.134 -179.31 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.1 mt -62.43 -43.11 97.91 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 124.745 1.218 . . . . 0.0 110.974 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.18 -39.66 92.47 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 125.091 1.329 . . . . 0.0 113.026 176.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.9 -52.34 65.47 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.534 1.667 . . . . 0.0 110.524 174.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.9 m -64.76 -31.84 73.25 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.18 -48.25 44.65 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.301 -0.874 . . . . 0.0 111.949 172.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.08 -37.35 69.21 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.886 1.274 . . . . 0.0 112.008 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.6 mmm-85 -62.32 -41.75 98.8 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.781 1.632 . . . . 0.0 113.778 170.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.0 m -65.19 -40.52 94.35 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.932 0.787 . . . . 0.0 112.208 173.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 mp -75.35 -23.17 57.16 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.675 0.79 . . . . 0.0 112.679 176.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.5 26.34 23.31 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 125.265 1.412 . . . . 0.0 114.447 176.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.506 HG22 ' H ' ' A' ' 53' ' ' SER . 1.7 mp -59.37 137.24 22.08 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.99 0 C-N-CA 124.764 1.226 . . . . 0.0 110.738 178.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.4 8.52 21.34 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 125.181 1.393 . . . . 0.0 114.11 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.506 ' H ' HG22 ' A' ' 51' ' ' ILE . 34.9 p -152.48 51.74 0.77 Allowed 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.408 1.883 . . . . 0.0 110.196 -173.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -53.97 -37.99 64.54 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.347 -0.846 . . . . 0.0 110.552 -174.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 42.1 p -55.6 -36.45 66.95 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 127.141 2.177 . . . . 0.0 114.187 173.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.21 -40.26 21.94 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.626 1.171 . . . . 0.0 112.218 178.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.39 -58.52 6.81 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.813 0.845 . . . . 0.0 109.298 175.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.07 -35.68 77.59 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.904 1.282 . . . . 0.0 112.226 176.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.89 -42.64 96.84 Favored Glycine 0 CA--C 1.535 1.291 0 CA-C-N 119.078 0.854 . . . . 0.0 112.57 175.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.8 96.46 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.419 1.109 . . . . 0.0 111.675 171.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.436 HD22 HG23 ' A' ' 81' ' ' ILE . 79.7 mt -63.36 -40.72 98.04 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.02 0.827 . . . . 0.0 112.952 174.041 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.15 -49.7 76.62 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.112 0.965 . . . . 0.0 111.285 174.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -63.37 -37.09 85.93 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.123 0.969 . . . . 0.0 112.143 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.38 -48.89 73.76 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.397 1.079 . . . . 0.0 112.434 176.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 38.9 t -63.08 -41.22 92.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 123.963 0.905 . . . . 0.0 111.64 175.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.66 -20.74 56.93 Favored Glycine 0 CA--C 1.541 1.674 0 C-N-CA 124.346 0.974 . . . . 0.0 113.783 171.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.51 -41.43 96.26 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 125.347 1.451 . . . . 0.0 113.15 176.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.0 t -79.58 -44.22 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 118.07 0.935 . . . . 0.0 110.512 171.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.2 166.36 10.71 Favored Glycine 0 CA--C 1.542 1.777 0 C-N-CA 123.964 0.792 . . . . 0.0 113.649 -175.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.45 155.17 18.89 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -173.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.67 43.62 7.7 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 124.215 0.912 . . . . 0.0 113.322 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -138.13 166.68 23.54 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.456 1.502 . . . . 0.0 112.208 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.3 m -60.57 148.33 38.47 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.742 1.217 . . . . 0.0 112.045 178.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.71 -41.33 70.16 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.581 -0.699 . . . . 0.0 111.793 171.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.9 t -56.52 -36.24 68.98 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.458 1.103 . . . . 0.0 112.969 173.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.65 -46.13 80.36 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 120.411 1.46 . . . . 0.0 112.027 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -68.84 -44.76 72.75 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.578 -0.701 . . . . 0.0 111.483 174.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.74 -38.09 86.66 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.19 1.396 . . . . 0.0 112.031 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -69.95 -46.55 65.02 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.533 1.533 . . . . 0.0 110.614 172.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.69 -43.13 80.2 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 120.061 1.301 . . . . 0.0 112.049 175.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.436 HG23 HD22 ' A' ' 61' ' ' LEU . 53.6 mt -60.41 -51.23 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 125.624 1.57 . . . . 0.0 111.235 170.152 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.16 -27.0 68.78 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 119.389 0.995 . . . . 0.0 113.227 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -77.43 -42.21 36.98 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.699 1.2 . . . . 0.0 112.19 170.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.78 -49.85 42.16 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.557 1.071 . . . . 0.0 111.879 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.87 88.48 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.962 0.905 . . . . 0.0 110.641 167.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -57.05 -46.03 91.86 Favored Glycine 0 CA--C 1.535 1.295 0 CA-C-O 119.014 -0.881 . . . . 0.0 113.076 177.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -62.24 -41.85 98.79 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.167 1.483 . . . . 0.0 111.821 172.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -60.88 -48.34 82.25 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.217 0.607 . . . . 0.0 111.12 175.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.0 mt -73.56 -22.15 60.15 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.003 0.921 . . . . 0.0 112.338 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.27 -52.76 36.85 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.621 -1.3 . . . . 0.0 111.1 167.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.5 t -66.68 -32.3 73.52 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -71.73 -7.88 50.8 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 170.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.92 11.52 69.87 Favored Glycine 0 CA--C 1.539 1.587 0 O-C-N 120.845 -1.159 . . . . 0.0 114.206 -178.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.9 t -69.31 -35.52 67.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 125.443 1.497 . . . . 0.0 110.713 175.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.422 HD21 ' CD1' ' A' ' 7' ' ' PHE . 55.0 mt -72.97 119.25 16.96 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 121.668 0.747 . . . . 0.0 110.986 169.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -148.13 150.37 33.71 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 127.063 2.145 . . . . 0.0 111.033 -175.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.26 -12.47 13.42 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 47.9 t -52.73 -49.66 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.133 1.773 . . . . 0.0 111.309 170.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -169.64 33.67 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.133 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -177.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -50.15 -33.59 19.55 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.774 1.624 . . . . 0.0 112.467 175.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.5 t -63.39 -64.31 0.94 Allowed 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.847 -0.533 . . . . 0.0 110.082 170.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.78 -30.79 69.12 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -174.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.22 -25.07 66.8 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.88 -1.138 . . . . 0.0 113.28 171.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -60.71 -46.71 93.93 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 124.156 0.884 . . . . 0.0 112.194 169.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.2 m -63.16 -37.18 86.22 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 117.934 0.867 . . . . 0.0 112.39 169.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.87 -46.4 90.74 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 119.975 1.261 . . . . 0.0 112.435 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -72.34 -40.89 67.05 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.429 -0.794 . . . . 0.0 111.577 177.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.8 -38.46 81.99 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.168 -0.957 . . . . 0.0 112.512 173.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -67.66 -36.42 80.7 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.875 0.761 . . . . 0.0 111.952 173.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.13 -46.28 88.03 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.287 0.948 . . . . 0.0 111.956 172.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 78.5 mt -65.86 -35.0 79.44 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.548 0.739 . . . . 0.0 111.929 173.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.9 t -63.92 -41.1 97.74 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.422 1.089 . . . . 0.0 112.286 173.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.5 -48.38 77.29 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.476 0.71 . . . . 0.0 110.647 170.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.4 m -65.46 -35.93 82.38 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 176.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -71.11 -45.51 63.51 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.845 1.258 . . . . 0.0 112.333 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.45 92.13 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.758 0.823 . . . . 0.0 110.813 170.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -67.1 -32.34 73.42 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 173.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.54 0.575 0 O-C-N 120.641 -1.287 . . . . 0.0 111.888 170.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.2 t . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -64.75 -37.2 86.79 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.203 -0.936 . . . . 0.0 112.725 175.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.35 -42.53 79.11 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.194 -0.941 . . . . 0.0 111.513 174.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -55.22 -49.48 71.85 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.958 0.903 . . . . 0.0 110.772 172.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.57 -25.79 68.13 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 117.457 -1.259 . . . . 0.0 113.817 174.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -71.95 -46.57 57.0 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 121.023 1.738 . . . . 0.0 113.297 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.04 -41.38 70.87 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.128 -0.982 . . . . 0.0 111.1 176.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.01 -50.33 73.77 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 118.479 -0.772 . . . . 0.0 111.105 171.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.7 p -62.22 -34.71 77.01 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 120.252 1.387 . . . . 0.0 112.815 176.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 m -57.33 -47.39 81.7 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.907 1.685 . . . . 0.0 112.573 171.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.2 m -72.04 -45.93 58.95 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.7 mt -66.92 -31.26 71.72 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.604 1.161 . . . . 0.0 111.913 -179.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.9 -36.59 78.22 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.915 1.286 . . . . 0.0 113.327 174.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 t -83.52 -3.33 57.54 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 174.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.0 t -105.55 77.6 1.29 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.236 1.414 . . . . 0.0 111.301 -175.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.6 m -53.91 -25.13 18.73 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.312 1.226 . . . . 0.0 114.312 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.75 -32.14 72.37 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.269 1.028 . . . . 0.0 113.468 172.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.69 HD11 ' HA ' ' A' ' 112' ' ' SER . 30.3 mm -70.59 -48.5 58.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.352 1.461 . . . . 0.0 109.749 173.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.5 m -57.52 -39.33 76.3 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 123.498 0.719 . . . . 0.0 111.793 174.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -61.31 -53.11 60.95 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 116.848 -1.548 . . . . 0.0 112.005 168.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.51 -35.96 31.76 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 121.549 1.977 . . . . 0.0 113.733 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.424 ' CE2' HG22 ' A' ' 21' ' ' ILE . 17.1 m-85 -82.97 -36.03 25.44 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 176.081 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.28 -23.85 47.03 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.397 0.999 . . . . 0.0 113.271 176.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.2 m -62.78 -27.5 69.34 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 127.314 2.246 . . . . 0.0 113.376 174.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.5 m -96.34 154.03 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 123.62 0.768 . . . . 0.0 111.109 172.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.4 m -121.26 15.1 11.37 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.936 1.295 . . . . 0.0 112.575 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.7 m -140.34 139.93 35.49 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.916 1.686 . . . . 0.0 110.79 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.73 98.39 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.451 0.701 . . . . 0.0 110.917 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.1 t -65.0 -32.23 73.86 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.013 0.925 . . . . 0.0 112.86 176.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.47 -41.21 76.48 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.954 -1.091 . . . . 0.0 111.801 173.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.93 -41.52 98.04 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.503 0.592 . . . . 0.0 111.185 168.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.0 m -57.05 -46.33 82.51 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.227 1.011 . . . . 0.0 111.489 175.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.2 m -63.7 -44.1 94.66 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 118.903 0.774 . . . . 0.0 112.721 173.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.8 -49.98 74.15 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.69 1.132 . . . . 0.0 111.609 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.453 ' HB1' HD11 ' A' ' 61' ' ' LEU . . . -62.68 -35.91 81.2 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.41 1.484 . . . . 0.0 112.205 177.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -63.15 -50.31 70.91 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.278 1.031 . . . . 0.0 111.46 169.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -58.91 -50.29 74.58 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.653 1.115 . . . . 0.0 112.694 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.9 pt -70.02 -31.42 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 123.324 0.649 . . . . 0.0 112.1 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.18 -36.06 63.95 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 125.746 1.641 . . . . 0.0 113.678 175.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.8 mt -60.55 -43.01 97.7 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.143 1.472 . . . . 0.0 111.397 169.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.5 t -64.26 -43.75 93.9 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 118.401 0.546 . . . . 0.0 111.924 176.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.6 -44.87 93.24 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.553 -0.717 . . . . 0.0 111.964 171.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.64 -42.21 98.16 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.615 1.166 . . . . 0.0 112.901 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.3 mtp85 -61.72 -40.64 95.78 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.006 1.322 . . . . 0.0 112.196 173.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.0 t -64.57 -37.87 89.05 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.742 0.817 . . . . 0.0 112.7 172.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.0 mt -85.8 5.68 31.47 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.849 1.66 . . . . 0.0 113.792 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.07 30.0 69.4 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 125.396 1.474 . . . . 0.0 115.146 177.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.9 mm -61.41 133.33 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.519 1.528 . . . . 0.0 111.427 -174.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.12 11.54 1.8 Allowed 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 115.1 1.518 . . . . 0.0 115.1 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.485 ' HB3' ' HB3' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -175.67 66.43 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 128.532 2.733 . . . . 0.0 108.537 -173.311 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -53.02 -43.4 66.52 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.277 -0.889 . . . . 0.0 110.884 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.7 t -56.0 -38.12 70.05 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.853 1.661 . . . . 0.0 113.759 174.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.485 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -78.29 -40.65 36.24 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.302 0.955 . . . . 0.0 112.172 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.0 tt -61.59 -56.24 21.99 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.177 0.898 . . . . 0.0 109.892 172.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.32 -36.95 79.13 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.686 0.795 . . . . 0.0 112.113 -178.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.52 -43.16 78.61 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.515 1.055 . . . . 0.0 113.508 174.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.68 -36.33 83.48 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 118.546 1.173 . . . . 0.0 112.325 172.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.453 HD11 ' HB1' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -68.49 -40.93 80.71 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.985 1.314 . . . . 0.0 112.349 172.507 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.22 -41.55 79.69 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.908 0.883 . . . . 0.0 112.105 171.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -62.59 -31.43 72.25 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 174.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.81 -42.4 67.1 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.069 0.849 . . . . 0.0 111.971 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 t -60.81 -46.53 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.443 1.097 . . . . 0.0 112.032 171.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.71 -5.29 30.27 Favored Glycine 0 CA--C 1.539 1.549 0 C-N-CA 124.334 0.969 . . . . 0.0 114.403 170.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.44 -34.14 29.65 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.425 1.488 . . . . 0.0 113.698 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 13.7 t -83.46 -50.13 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-N 118.365 1.082 . . . . 0.0 111.432 177.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.95 174.83 18.83 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 125.064 1.316 . . . . 0.0 114.084 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.32 152.89 40.75 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.231 1.013 . . . . 0.0 112.543 -177.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.06 9.79 36.74 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 123.94 0.781 . . . . 0.0 114.918 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.72 165.48 10.32 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.92 1.288 . . . . 0.0 112.423 173.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.3 t -61.65 145.79 51.11 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 122.922 0.489 . . . . 0.0 111.943 178.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.37 -42.25 81.75 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.605 -0.684 . . . . 0.0 112.512 172.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.4 m -66.54 -26.49 67.16 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 173.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.09 -43.27 65.07 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 119.373 0.988 . . . . 0.0 111.58 174.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -64.18 -44.85 90.76 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.798 0.727 . . . . 0.0 111.942 171.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.49 -48.16 79.98 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.235 0.614 . . . . 0.0 111.985 175.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -65.28 -37.52 87.43 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 118.357 -0.83 . . . . 0.0 113.139 173.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.83 94.48 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 120.649 1.568 . . . . 0.0 112.306 176.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 78.2 mt -71.33 -43.02 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 O-C-N 121.116 -0.99 . . . . 0.0 110.555 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.46 -31.61 71.02 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 178.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -70.68 -32.95 70.39 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.679 1.127 . . . . 0.0 111.225 167.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.55 -44.5 64.46 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.82 1.191 . . . . 0.0 111.969 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.43 -45.58 86.91 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.846 -0.534 . . . . 0.0 111.267 169.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.67 -48.64 83.07 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 125.092 1.329 . . . . 0.0 113.487 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -63.24 -37.04 85.67 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.141 1.47 . . . . 0.0 111.005 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -67.65 -50.57 57.2 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.56 0.618 . . . . 0.0 110.404 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.9 mt -66.71 -29.34 69.3 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 120.88 -1.137 . . . . 0.0 112.449 176.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.68 -49.25 66.73 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.349 1.459 . . . . 0.0 112.59 171.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 70.8 p -67.8 -32.53 73.15 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.159 0.89 . . . . 0.0 112.317 178.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -77.76 -7.18 56.2 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 171.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 58.96 22.99 56.26 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.689 1.138 . . . . 0.0 114.355 -175.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 17.6 t -69.03 -41.69 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.137 1.375 . . . . 0.0 110.666 176.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 pp -87.89 154.93 20.13 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.542 0.737 . . . . 0.0 111.31 170.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -151.14 148.54 28.4 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.697 1.599 . . . . 0.0 108.712 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -47.1 -20.36 0.16 Allowed 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 176.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 95.8 t -43.12 -48.77 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 127.075 2.15 . . . . 0.0 112.636 164.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -160.62 24.65 0.15 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.474 1.51 . . . . 0.0 113.611 -177.436 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.98 -36.38 67.8 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 120.339 -1.476 . . . . 0.0 113.38 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 p -58.21 -64.35 0.95 Allowed 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 122.65 0.38 . . . . 0.0 111.189 165.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.9 -36.87 60.04 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 -178.368 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 66.0 mt -65.56 -28.51 69.21 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.012 -1.055 . . . . 0.0 113.125 172.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.0 -48.22 74.8 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 124.515 1.055 . . . . 0.0 112.227 168.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.5 m -63.43 -37.47 87.43 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.024 0.912 . . . . 0.0 113.014 171.058 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.15 96.72 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 7.9 tt -80.73 -33.64 35.02 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.495 -0.753 . . . . 0.0 112.158 173.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.62 -35.21 70.18 Favored 'General case' 0 C--O 1.222 -0.356 0 O-C-N 121.071 -1.018 . . . . 0.0 111.87 171.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -60.11 -36.74 78.11 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 119.236 0.925 . . . . 0.0 112.986 169.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.37 -51.4 66.03 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.39 0.996 . . . . 0.0 111.006 174.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.0 mt -63.88 -37.47 87.49 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.528 0.731 . . . . 0.0 112.279 177.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.69 ' HA ' HD11 ' A' ' 21' ' ' ILE . 3.5 m -64.23 -46.78 82.31 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.852 1.261 . . . . 0.0 112.95 174.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -62.93 -40.92 99.1 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.969 0.804 . . . . 0.0 111.451 173.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.7 m -67.52 -40.42 85.09 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.59 -43.8 83.91 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.399 -0.813 . . . . 0.0 111.565 171.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.19 -32.19 66.21 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.928 0.891 . . . . 0.0 112.125 171.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.3 -52.72 60.76 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.67 1.188 . . . . 0.0 111.815 176.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.472 0.627 0 O-C-N 121.885 -0.509 . . . . 0.0 111.652 176.584 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.6 m . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 t -65.27 -37.93 88.7 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.03 0.532 . . . . 0.0 112.123 175.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.8 -41.3 68.43 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.493 -0.754 . . . . 0.0 112.219 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -58.25 -51.11 71.13 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.143 0.977 . . . . 0.0 110.397 171.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.85 -22.06 66.92 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 117.855 -1.069 . . . . 0.0 113.778 173.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -74.4 -50.63 17.76 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 121.087 1.767 . . . . 0.0 112.477 174.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.23 84.99 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.154 0.888 . . . . 0.0 111.26 175.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.56 -47.23 86.35 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 118.338 -0.839 . . . . 0.0 111.09 171.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.0 t -57.38 -48.48 78.93 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.934 1.243 . . . . 0.0 111.993 174.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -39.76 88.79 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.536 1.062 . . . . 0.0 112.268 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.4 t -67.5 -55.55 13.08 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.886 0.874 . . . . 0.0 111.797 172.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.4 mt -61.2 -29.66 69.95 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.749 1.62 . . . . 0.0 113.195 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.51 -22.32 61.8 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.152 1.781 . . . . 0.0 113.861 172.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.6 t -103.23 -19.92 14.32 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.349 1.06 . . . . 0.0 112.899 174.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.1 m -66.32 79.46 0.1 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.693 1.997 . . . . 0.0 112.24 173.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.6 t -53.03 -35.77 59.81 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.559 -0.713 . . . . 0.0 112.042 173.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.44 -38.43 71.6 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 120.937 -1.102 . . . . 0.0 113.905 173.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.4 mm -69.11 -46.56 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.452 1.101 . . . . 0.0 109.761 174.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.2 t -59.48 -45.34 91.93 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.096 0.558 . . . . 0.0 112.46 177.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -66.77 -40.95 88.42 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.389 1.076 . . . . 0.0 112.44 175.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.55 -46.44 90.16 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.909 1.232 . . . . 0.0 111.983 173.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -70.43 -29.75 66.43 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 176.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.57 -22.56 40.63 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.388 0.994 . . . . 0.0 112.976 172.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.56 -37.49 84.03 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.191 1.396 . . . . 0.0 112.324 172.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.0 m -85.38 145.96 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 124.015 0.926 . . . . 0.0 111.407 175.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.3 m -121.07 -10.16 9.08 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.665 1.186 . . . . 0.0 113.88 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.0 m -104.31 143.47 32.93 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.946 1.298 . . . . 0.0 110.9 173.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.7 -41.01 89.78 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.428 0.691 . . . . 0.0 112.131 175.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.6 m -66.99 -30.21 70.26 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 171.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.0 -37.0 75.55 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 120.322 1.419 . . . . 0.0 112.006 174.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.28 -43.62 92.51 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.744 -0.597 . . . . 0.0 111.227 165.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -41.76 98.26 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 118.577 -0.725 . . . . 0.0 112.28 175.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.8 m -62.29 -43.41 98.9 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.935 1.294 . . . . 0.0 113.211 175.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -50.62 62.14 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.908 0.776 . . . . 0.0 110.108 175.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.34 -38.33 90.66 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.205 0.602 . . . . 0.0 110.627 -175.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -58.24 -56.41 22.39 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.404 1.481 . . . . 0.0 111.352 170.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -57.48 -40.23 78.13 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.449 HG23 ' HB2' ' A' ' 114' ' ' SER . 8.8 mt -68.06 -39.67 81.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 125.251 1.421 . . . . 0.0 111.638 172.315 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.91 -37.21 77.13 Favored Glycine 0 C--O 1.223 -0.551 0 C-N-CA 126.925 2.202 . . . . 0.0 113.363 174.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -57.91 -36.61 72.7 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.188 1.494 . . . . 0.0 112.297 171.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.5 t -70.65 -47.4 60.21 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 119.247 0.931 . . . . 0.0 111.771 177.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.32 -48.8 78.02 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.908 -0.495 . . . . 0.0 110.869 172.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.89 -45.52 86.31 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.216 1.406 . . . . 0.0 112.888 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -60.26 -47.57 85.44 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.498 1.119 . . . . 0.0 112.353 173.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 57.8 m -64.64 -25.29 67.89 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 176.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.3 mt -96.27 2.57 53.0 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.934 1.694 . . . . 0.0 112.75 176.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.61 32.11 64.6 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 125.563 1.554 . . . . 0.0 115.002 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.507 HG22 ' H ' ' A' ' 53' ' ' SER . 42.7 mm -59.62 129.42 21.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 124.862 1.265 . . . . 0.0 111.068 -177.059 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.83 8.43 4.6 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.099 1.36 . . . . 0.0 114.392 -178.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.507 ' H ' HG22 ' A' ' 51' ' ' ILE . 50.0 p -163.31 52.98 0.17 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 127.748 2.419 . . . . 0.0 109.867 -170.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.04 -35.58 47.6 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.983 -1.073 . . . . 0.0 112.08 -176.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.5 p -63.12 -36.64 84.27 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.854 2.062 . . . . 0.0 113.568 173.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.81 -39.47 43.66 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.297 1.039 . . . . 0.0 112.155 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -68.35 -48.82 63.81 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.536 1.062 . . . . 0.0 110.809 175.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.33 86.19 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.753 -0.592 . . . . 0.0 111.764 173.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.38 -47.2 86.88 Favored Glycine 0 CA--C 1.534 1.255 0 O-C-N 121.394 -0.816 . . . . 0.0 113.406 174.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.0 -41.44 97.49 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.42 -1.047 . . . . 0.0 112.41 177.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.484 HD13 HD12 ' A' ' 81' ' ' ILE . 0.4 OUTLIER -69.3 -35.05 75.61 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.437 -0.789 . . . . 0.0 111.903 174.342 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.03 91.65 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.257 -0.902 . . . . 0.0 111.263 174.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -63.99 -31.89 73.24 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 171.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.13 -48.6 73.0 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.144 0.884 . . . . 0.0 111.5 175.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.89 -40.04 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.42 0.688 . . . . 0.0 112.171 175.214 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.13 -18.72 65.22 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.766 1.174 . . . . 0.0 113.591 173.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.09 -42.18 92.12 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.172 1.368 . . . . 0.0 113.343 176.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.5 t -79.17 -47.22 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 117.852 0.826 . . . . 0.0 111.04 174.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.47 155.15 10.94 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 124.984 1.278 . . . . 0.0 114.678 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.94 140.4 58.84 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -173.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.27 -37.4 2.88 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 127.063 2.268 . . . . 0.0 113.938 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.78 176.84 0.83 Allowed 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 125.69 1.596 . . . . 0.0 114.113 171.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.1 t -67.66 147.54 52.55 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.054 -1.029 . . . . 0.0 112.578 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.05 -35.78 67.3 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.542 0.737 . . . . 0.0 112.986 171.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.2 m -62.69 -25.1 67.99 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 175.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.47 -39.58 64.8 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.902 1.228 . . . . 0.0 111.748 174.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.1 m-30 -68.72 -49.0 62.41 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.26 1.024 . . . . 0.0 111.129 175.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.4 -34.21 74.97 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.494 1.118 . . . . 0.0 112.0 176.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -60.2 -46.65 89.02 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.992 0.815 . . . . 0.0 112.062 166.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.82 -35.39 78.07 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.885 0.766 . . . . 0.0 112.218 177.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.484 HD12 HD13 ' A' ' 61' ' ' LEU . 3.0 mm -73.82 -43.44 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 118.877 0.762 . . . . 0.0 111.143 175.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.39 -32.78 73.64 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.992 0.917 . . . . 0.0 112.527 175.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -72.86 -44.84 60.88 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.413 1.485 . . . . 0.0 112.863 169.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.18 -43.12 82.99 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 120.212 1.369 . . . . 0.0 112.476 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.43 -42.88 70.97 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.588 0.755 . . . . 0.0 111.755 172.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.58 -50.38 67.65 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 124.235 0.922 . . . . 0.0 112.856 176.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -35.3 74.08 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 118.485 1.142 . . . . 0.0 111.747 175.296 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -64.18 -48.22 76.78 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.613 0.765 . . . . 0.0 111.117 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 48.8 mt -74.9 -31.3 61.53 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.816 0.846 . . . . 0.0 111.346 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.91 -49.15 71.56 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.971 1.309 . . . . 0.0 112.764 171.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.6 t -65.4 -32.69 74.45 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 119.028 0.831 . . . . 0.0 112.05 176.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -74.43 -7.18 52.09 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 171.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 61.08 19.24 56.65 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.544 1.068 . . . . 0.0 114.426 -175.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.7 t -67.15 -24.98 32.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.372 1.469 . . . . 0.0 111.129 171.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 28.6 mt -94.23 124.48 38.27 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.745 1.218 . . . . 0.0 111.061 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -133.36 152.32 51.91 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.821 1.648 . . . . 0.0 110.114 -175.316 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.24 -17.93 5.29 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.676 1.362 . . . . 0.0 114.676 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 48.2 t -45.53 -52.24 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 127.184 2.193 . . . . 0.0 111.948 171.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -170.61 27.36 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.559 1.544 . . . . 0.0 113.851 -177.528 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -50.81 -37.33 42.05 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 120.338 -1.477 . . . . 0.0 113.12 175.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.27 -64.41 0.84 Allowed 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 123.829 0.851 . . . . 0.0 110.268 170.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.1 m -63.25 -30.62 71.73 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -178.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 73.6 mt -62.99 -25.63 68.47 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.085 -1.009 . . . . 0.0 112.464 171.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.27 -38.78 91.24 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 123.707 0.67 . . . . 0.0 113.025 169.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.6 t -60.43 -37.71 81.76 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 122.229 -0.571 . . . . 0.0 111.802 172.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.38 -38.74 84.86 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.724 1.147 . . . . 0.0 112.816 176.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -68.59 -47.97 65.38 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.526 0.603 . . . . 0.0 111.312 174.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.86 -35.09 77.27 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 175.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -66.57 -38.65 87.53 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.106 0.962 . . . . 0.0 111.184 171.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.14 -47.88 82.6 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 118.971 0.805 . . . . 0.0 111.647 172.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 82.2 mt -59.0 -42.33 89.8 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.687 -0.633 . . . . 0.0 111.206 172.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.7 t -63.56 -43.82 95.93 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.543 1.137 . . . . 0.0 112.277 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -54.72 -51.47 65.49 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.818 0.847 . . . . 0.0 110.735 170.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.449 ' HB2' HG23 ' A' ' 41' ' ' ILE . 4.7 m -68.1 -34.28 76.1 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -74.91 -40.29 60.96 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 124.585 1.154 . . . . 0.0 112.153 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.98 -41.75 97.05 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.366 0.667 . . . . 0.0 110.954 168.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -69.36 -32.16 71.05 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 121.52 -0.737 . . . . 0.0 112.899 174.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.475 0.777 0 O-C-N 120.084 -1.635 . . . . 0.0 112.392 171.975 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.8 t . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -67.03 -32.83 74.31 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.831 -1.168 . . . . 0.0 113.232 171.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.99 -45.49 70.47 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 121.369 -0.832 . . . . 0.0 111.067 174.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.429 ' CD2' ' HA2' ' A' ' 104' ' ' GLY . 14.5 t80 -50.2 -52.43 35.74 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.084 0.554 . . . . 0.0 110.438 168.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.29 -23.8 67.58 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -68.29 -54.41 17.73 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 120.632 1.56 . . . . 0.0 112.527 174.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.0 -39.55 79.24 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.764 -0.585 . . . . 0.0 111.749 176.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.76 94.28 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 117.972 -1.014 . . . . 0.0 111.97 174.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 m -56.85 -47.39 80.47 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.988 1.267 . . . . 0.0 112.151 172.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.6 t -64.2 -45.82 86.64 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.453 1.024 . . . . 0.0 112.135 178.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.3 t -62.58 -49.56 74.78 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.598 1.159 . . . . 0.0 113.013 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.414 HD22 ' HB1' ' A' ' 78' ' ' ALA . 0.8 OUTLIER -68.38 -36.73 79.59 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.249 1.02 . . . . 0.0 111.959 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.51 -31.1 71.62 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 118.898 0.772 . . . . 0.0 112.26 174.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.23 -22.53 66.33 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.019 1.327 . . . . 0.0 113.079 167.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.2 t -100.53 79.76 2.14 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.02 1.328 . . . . 0.0 111.726 -177.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.4 t -55.63 -26.8 46.18 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.993 -1.067 . . . . 0.0 113.198 176.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.06 -34.85 72.43 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.043 -1.036 . . . . 0.0 113.759 171.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 51.3 mt -64.11 -48.03 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 119.04 0.836 . . . . 0.0 110.428 171.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.1 t -59.98 -47.81 84.3 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.594 -0.691 . . . . 0.0 112.597 176.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -61.56 -39.31 90.65 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 118.007 -0.997 . . . . 0.0 112.65 175.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.07 -45.7 79.24 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.804 1.184 . . . . 0.0 112.356 173.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -73.02 -32.06 64.87 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 177.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.97 -26.79 61.49 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 172.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.0 t -71.16 -42.49 69.04 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.671 1.189 . . . . 0.0 112.79 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.8 m -70.07 135.94 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 123.718 0.807 . . . . 0.0 110.815 172.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.3 p -121.31 16.71 11.44 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.523 1.529 . . . . 0.0 112.435 -178.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 t -139.14 138.26 36.84 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 127.244 2.218 . . . . 0.0 108.583 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.26 -38.45 83.56 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 119.34 -0.362 . . . . 0.0 110.79 174.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -42.71 99.57 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.835 0.854 . . . . 0.0 112.63 172.087 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.96 97.71 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.036 0.834 . . . . 0.0 111.896 176.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.84 -49.57 75.76 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.347 0.659 . . . . 0.0 111.773 172.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.6 m -55.5 -46.84 76.91 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 124.902 1.281 . . . . 0.0 111.722 176.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.6 m -72.02 -34.05 68.53 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 178.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.21 -52.35 65.18 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.062 -1.024 . . . . 0.0 109.577 169.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.565 ' HB1' HD11 ' A' ' 61' ' ' LEU . . . -66.47 -27.51 67.85 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.327 0.651 . . . . 0.0 112.52 178.566 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -62.94 -49.55 74.31 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.887 1.275 . . . . 0.0 111.171 167.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -61.34 -47.87 83.9 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 120.279 1.4 . . . . 0.0 112.747 175.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.6 mt -57.3 -44.79 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.318 1.047 . . . . 0.0 111.134 174.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.51 -37.98 69.04 Favored Glycine 0 C--O 1.222 -0.61 0 C-N-CA 126.035 1.779 . . . . 0.0 114.193 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.7 mt -62.66 -45.5 92.52 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.143 1.471 . . . . 0.0 110.955 172.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 t -64.74 -46.41 82.34 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.847 0.459 . . . . 0.0 111.736 176.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.46 -47.92 82.43 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.652 -0.655 . . . . 0.0 111.757 172.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.86 97.81 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.619 1.168 . . . . 0.0 113.405 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -62.18 -41.43 98.32 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.564 0.746 . . . . 0.0 112.546 172.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.8 m -65.86 -37.69 86.85 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.2 mt -79.44 -14.18 59.09 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.424 1.49 . . . . 0.0 113.41 176.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.08 29.49 45.93 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 125.217 1.389 . . . . 0.0 114.681 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 31.6 mm -65.5 130.84 31.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.537 1.535 . . . . 0.0 110.876 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.73 14.84 0.58 Allowed 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -177.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.46 ' HB3' ' HB3' ' A' ' 56' ' ' ALA . 0.5 OUTLIER -174.17 63.78 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 128.544 2.737 . . . . 0.0 108.506 -175.122 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 48.4 p-10 -49.03 -44.3 41.33 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.298 -0.877 . . . . 0.0 112.471 173.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 t -53.93 -38.99 65.46 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.446 1.498 . . . . 0.0 113.836 172.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.46 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -78.48 -41.5 32.41 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.223 -0.923 . . . . 0.0 112.475 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.435 HD23 ' C ' ' A' ' 57' ' ' LEU . 7.1 tt -59.9 -56.49 21.15 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.339 0.972 . . . . 0.0 109.721 171.362 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.65 -38.65 81.98 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.892 0.877 . . . . 0.0 111.6 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.17 -43.53 80.12 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 124.552 1.072 . . . . 0.0 113.445 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.86 97.8 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 118.765 1.282 . . . . 0.0 112.263 174.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.565 HD11 ' HB1' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -67.33 -41.58 85.04 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.739 1.216 . . . . 0.0 111.619 173.482 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.73 90.16 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.165 0.986 . . . . 0.0 111.408 173.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -59.04 -36.89 75.79 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.936 0.894 . . . . 0.0 112.627 173.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.96 -49.04 71.87 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.319 0.648 . . . . 0.0 111.763 173.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.7 t -57.29 -46.46 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.906 1.282 . . . . 0.0 112.261 175.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.66 -13.5 51.49 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.43 1.014 . . . . 0.0 114.787 171.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.29 -35.96 77.86 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 125.648 1.594 . . . . 0.0 113.645 177.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.1 t -76.6 -48.88 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-N 117.933 0.867 . . . . 0.0 111.05 173.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.92 166.3 42.06 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 124.713 1.149 . . . . 0.0 114.173 -177.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.38 148.46 37.15 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.473 1.109 . . . . 0.0 113.778 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.7 54.95 6.24 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 123.696 0.665 . . . . 0.0 113.068 177.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.35 171.62 14.01 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.407 1.483 . . . . 0.0 112.228 -177.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.3 t -63.2 146.47 53.3 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.429 0.691 . . . . 0.0 112.06 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.63 -39.98 86.1 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.707 -0.62 . . . . 0.0 111.979 171.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.5 m -61.64 -33.16 73.45 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-O 117.633 -1.175 . . . . 0.0 112.635 172.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.11 -49.4 67.66 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 121.258 1.845 . . . . 0.0 111.948 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -59.1 -47.21 86.08 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.031 0.532 . . . . 0.0 112.185 173.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.414 ' HB1' HD22 ' A' ' 15' ' ' LEU . . . -69.59 -27.8 65.41 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 178.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -62.23 -47.7 83.25 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.376 1.071 . . . . 0.0 109.559 169.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.15 -38.08 85.14 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.583 0.629 . . . . 0.0 112.122 176.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 80.9 mt -68.49 -48.68 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.045 0.938 . . . . 0.0 111.939 174.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.08 -37.48 87.66 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.921 0.888 . . . . 0.0 112.057 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -67.68 -40.3 84.43 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.849 1.26 . . . . 0.0 112.659 170.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.8 -47.78 61.55 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 120.356 1.434 . . . . 0.0 111.943 177.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.7 92.39 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 121.289 -0.882 . . . . 0.0 111.472 173.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.15 -51.95 53.21 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.462 1.029 . . . . 0.0 113.612 172.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -61.8 -36.47 81.22 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.513 1.657 . . . . 0.0 111.695 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -64.5 -47.22 79.72 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.33 0.652 . . . . 0.0 110.68 176.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.2 mt -69.5 -23.26 63.6 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 120.95 -1.094 . . . . 0.0 113.733 174.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.32 -47.85 63.24 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.461 1.028 . . . . 0.0 111.323 171.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 65.0 p -70.13 -29.9 66.94 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.597 0.759 . . . . 0.0 113.0 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -76.4 -5.91 49.36 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 168.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 62.54 24.89 66.49 Favored Glycine 0 CA--C 1.538 1.53 0 CA-C-N 119.509 1.05 . . . . 0.0 114.276 -177.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.1 t -79.02 -27.63 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.299 1.44 . . . . 0.0 111.474 174.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 95.3 mt -77.91 110.55 12.91 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.523 -0.735 . . . . 0.0 110.853 174.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -133.5 164.08 27.95 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.684 1.594 . . . . 0.0 111.214 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.18 -14.16 6.44 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 168.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 41.3 t -52.28 -49.75 40.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.916 1.687 . . . . 0.0 111.421 172.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 173.0 45.6 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.862 2.065 . . . . 0.0 113.641 -175.041 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.94 -33.4 66.97 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 119.373 -2.08 . . . . 0.0 114.609 177.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.1 t -68.58 -60.23 2.57 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.81 0.732 . . . . 0.0 111.083 167.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.42 -35.35 73.83 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 -175.29 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.28 -28.81 66.61 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.05 -1.031 . . . . 0.0 112.712 171.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.429 ' HA2' ' CD2' ' A' ' 7' ' ' PHE . . . -61.46 -35.06 90.49 Favored Glycine 0 CA--C 1.524 0.618 0 O-C-N 121.604 -0.685 . . . . 0.0 112.438 172.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.6 -39.47 91.33 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 117.463 0.632 . . . . 0.0 112.474 167.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.44 -43.6 96.92 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.509 1.049 . . . . 0.0 112.701 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.6 tt -70.17 -40.52 74.64 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.591 -0.693 . . . . 0.0 111.67 173.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.26 -36.15 77.12 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 120.707 -1.246 . . . . 0.0 112.861 173.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -67.37 -32.01 72.64 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 118.39 -0.814 . . . . 0.0 112.64 169.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.8 -43.4 88.83 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 120.143 1.338 . . . . 0.0 112.161 170.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 67.5 mt -66.73 -39.98 88.18 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.426 -0.796 . . . . 0.0 111.737 174.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.1 t -62.68 -42.63 99.73 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.604 1.162 . . . . 0.0 112.193 172.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -56.42 -52.38 64.87 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 118.6 -0.714 . . . . 0.0 110.477 170.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.2 m -62.85 -38.95 92.84 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 119.372 0.987 . . . . 0.0 113.519 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -71.73 -45.4 61.87 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.5 1.12 . . . . 0.0 112.683 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.58 -39.18 88.32 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.786 0.835 . . . . 0.0 111.534 173.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -62.69 -27.86 69.54 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.478 1.111 . . . . 0.0 112.707 168.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.544 0.725 0 CA-C-N 120.299 1.409 . . . . 0.0 111.841 177.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.8 p . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 m -63.81 -45.15 90.96 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.138 0.975 . . . . 0.0 112.635 174.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.37 -41.01 66.85 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.337 0.655 . . . . 0.0 111.74 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -56.83 -49.49 75.24 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.401 1.08 . . . . 0.0 110.412 171.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.28 -25.56 66.92 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 117.797 -1.097 . . . . 0.0 113.619 173.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -67.73 -52.34 38.65 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 121.204 1.82 . . . . 0.0 111.967 172.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.05 -41.39 82.12 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.36 0.982 . . . . 0.0 111.922 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.56 -51.56 68.89 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 118.427 -0.797 . . . . 0.0 110.755 175.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.3 t -57.55 -40.61 79.26 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.683 1.129 . . . . 0.0 112.182 173.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.5 t -56.65 -48.55 77.31 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.623 1.102 . . . . 0.0 111.863 176.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.1 m -72.05 -45.07 62.18 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 175.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.5 mt -62.62 -39.94 95.42 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.816 1.646 . . . . 0.0 112.359 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.11 -32.0 71.99 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.012 1.325 . . . . 0.0 112.735 173.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.65 -28.85 58.91 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.192 1.397 . . . . 0.0 112.309 170.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.3 t -86.17 77.76 9.51 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 125.461 1.504 . . . . 0.0 111.301 -174.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.2 m -53.34 -26.01 17.4 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.096 0.958 . . . . 0.0 113.572 176.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.1 -30.95 69.6 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 171.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.6 mm -76.61 -52.06 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.157 1.383 . . . . 0.0 110.054 173.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.7 m -56.82 -43.3 80.88 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.075 0.95 . . . . 0.0 112.068 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -36.13 72.22 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-O 117.76 -1.114 . . . . 0.0 112.336 175.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.67 -37.77 87.72 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.09 1.314 . . . . 0.0 111.595 175.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -68.03 -49.71 59.83 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.89 -0.506 . . . . 0.0 112.338 168.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.04 -18.49 63.4 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 120.143 1.338 . . . . 0.0 114.144 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 t -63.27 -23.43 67.42 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.051 1.74 . . . . 0.0 113.195 171.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.513 HG21 ' HB2' ' A' ' 34' ' ' ALA . 1.3 m -89.54 162.12 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 123.849 0.859 . . . . 0.0 112.001 177.041 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 m -124.03 4.16 8.65 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.938 1.295 . . . . 0.0 113.677 173.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 t -148.09 148.89 31.13 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.249 1.02 . . . . 0.0 111.96 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.23 -28.35 69.3 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.943 -0.473 . . . . 0.0 111.649 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -30.05 70.91 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 126.33 1.852 . . . . 0.0 113.19 172.223 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.11 -41.6 20.28 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.255 -0.903 . . . . 0.0 111.252 176.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.513 ' HB2' HG21 ' A' ' 28' ' ' VAL . . . -64.69 -38.92 92.65 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.558 170.075 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.9 p -65.14 -42.14 94.13 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 120.065 1.302 . . . . 0.0 110.844 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.7 t -61.45 -41.62 97.49 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.649 0.78 . . . . 0.0 112.592 171.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 mt -63.25 -52.85 60.43 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.239 0.927 . . . . 0.0 111.935 174.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.92 -34.08 69.48 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.404 1.482 . . . . 0.0 112.221 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -66.86 -53.85 28.28 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.951 0.901 . . . . 0.0 110.993 169.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -58.94 -47.94 83.26 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.473 1.509 . . . . 0.0 113.452 -177.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 pt -71.99 -25.78 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.721 1.208 . . . . 0.0 111.526 172.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.04 -41.78 99.57 Favored Glycine 0 C--N 1.335 0.528 0 C-N-CA 126.277 1.894 . . . . 0.0 112.687 172.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -57.87 -48.33 80.15 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 119.344 1.572 . . . . 0.0 110.887 169.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.3 m -62.69 -41.48 99.13 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.504 1.047 . . . . 0.0 113.118 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.61 -46.7 75.03 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.456 -0.777 . . . . 0.0 111.646 175.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.98 92.53 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.772 1.229 . . . . 0.0 112.138 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -62.53 -46.97 85.94 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.075 1.35 . . . . 0.0 112.257 172.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.3 m -61.17 -30.29 70.31 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.8 mt -95.97 6.71 48.23 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.526 1.531 . . . . 0.0 113.187 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 54.48 34.1 54.58 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 125.988 1.756 . . . . 0.0 115.355 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.429 HG22 ' H ' ' A' ' 53' ' ' SER . 50.3 mm -60.04 136.72 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 125.326 1.45 . . . . 0.0 111.233 -177.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.27 14.88 3.23 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.025 1.33 . . . . 0.0 114.167 -177.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.429 ' H ' HG22 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -170.93 58.86 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 127.384 2.273 . . . . 0.0 109.466 -173.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -52.79 -35.71 57.08 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 120.908 -1.12 . . . . 0.0 111.789 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.1 t -55.81 -44.96 78.34 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.927 1.691 . . . . 0.0 113.684 172.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.85 -40.54 63.21 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.319 -0.863 . . . . 0.0 111.537 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.49 -42.35 68.18 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 118.679 -0.677 . . . . 0.0 111.694 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.01 -41.21 67.73 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.806 1.243 . . . . 0.0 111.806 168.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -63.99 -34.06 88.93 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 124.768 1.175 . . . . 0.0 114.017 172.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.81 -45.56 89.07 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.268 1.534 . . . . 0.0 111.942 175.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -37.81 78.16 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.438 -0.789 . . . . 0.0 110.466 177.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.57 -43.0 99.66 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.886 0.875 . . . . 0.0 113.024 174.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -64.36 -37.0 85.97 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.947 1.299 . . . . 0.0 112.772 173.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.44 -52.52 45.54 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.803 0.841 . . . . 0.0 112.391 177.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.8 t -58.99 -48.61 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 C-N-CA 126.076 1.75 . . . . 0.0 111.813 175.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.85 -5.61 47.17 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.912 1.244 . . . . 0.0 114.279 173.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.44 -42.5 4.23 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 125.78 1.657 . . . . 0.0 112.351 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.1 t -72.16 -49.56 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 117.914 0.857 . . . . 0.0 111.489 172.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.55 166.99 28.6 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.683 1.135 . . . . 0.0 114.362 -177.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.91 157.76 31.15 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -176.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.75 -1.74 36.37 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.855 1.216 . . . . 0.0 114.371 -173.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.96 164.38 20.07 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.885 1.274 . . . . 0.0 112.454 173.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.9 t -66.64 148.91 51.25 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.02 0.528 . . . . 0.0 112.175 177.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.7 -28.44 68.64 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 170.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.9 m -66.11 -36.39 83.04 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.307 0.958 . . . . 0.0 112.387 171.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.48 -42.79 78.2 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.668 0.667 . . . . 0.0 111.433 174.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -63.45 -47.42 81.93 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.708 0.686 . . . . 0.0 112.537 171.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.12 -47.06 84.43 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.887 0.875 . . . . 0.0 111.664 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -62.74 -46.7 86.85 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 119.459 1.027 . . . . 0.0 111.959 172.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.09 -50.77 72.33 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 120.072 1.306 . . . . 0.0 111.107 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 75.8 mt -65.45 -46.16 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 124.404 1.081 . . . . 0.0 110.715 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.3 -26.99 66.8 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.255 0.934 . . . . 0.0 113.247 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -76.05 -39.0 56.47 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.373 1.069 . . . . 0.0 112.182 168.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.76 -50.46 35.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 121.037 1.744 . . . . 0.0 111.423 176.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.13 -43.81 92.02 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.836 1.254 . . . . 0.0 111.97 170.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -66.07 -44.46 91.31 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-O 118.989 -0.895 . . . . 0.0 113.007 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -62.5 -39.9 94.99 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.246 1.523 . . . . 0.0 111.715 171.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -64.06 -50.91 66.5 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.032 0.833 . . . . 0.0 111.047 177.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.6 mt -67.46 -29.09 68.45 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 120.468 -1.395 . . . . 0.0 112.767 177.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.33 -48.27 78.69 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.997 0.919 . . . . 0.0 112.398 169.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.1 p -69.65 -29.11 66.51 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.108 0.867 . . . . 0.0 113.035 176.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -72.23 -8.15 53.21 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 168.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 63.59 17.02 59.54 Favored Glycine 0 CA--C 1.538 1.477 0 O-C-N 121.029 -1.045 . . . . 0.0 114.119 -174.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.3 t -67.96 -27.61 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.935 1.294 . . . . 0.0 110.866 171.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.4 mt -92.17 133.08 36.12 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.223 1.009 . . . . 0.0 111.097 176.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -141.89 153.1 44.18 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.996 1.718 . . . . 0.0 109.775 -177.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.5 -14.04 7.0 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 174.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 49.6 t -48.67 -52.77 8.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 126.711 2.004 . . . . 0.0 111.938 170.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -172.66 30.0 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.552 1.541 . . . . 0.0 113.958 -176.348 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -50.68 -35.32 30.35 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.31 -1.494 . . . . 0.0 113.402 174.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.3 t -54.93 -64.01 0.97 Allowed 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 122.905 0.482 . . . . 0.0 110.928 170.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 44.2 m -60.32 -31.98 70.8 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 81.3 mt -62.96 -25.72 68.49 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.474 1.033 . . . . 0.0 112.885 171.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.07 -44.01 94.89 Favored Glycine 0 N--CA 1.466 0.694 0 C-N-CA 124.067 0.841 . . . . 0.0 112.986 169.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -36.35 82.54 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 172.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.84 98.75 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 119.042 0.837 . . . . 0.0 112.632 176.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.1 tt -70.8 -35.79 72.69 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.32 -0.863 . . . . 0.0 112.962 173.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.03 -36.26 83.81 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.139 -0.976 . . . . 0.0 112.687 173.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -64.54 -36.44 84.23 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.652 0.66 . . . . 0.0 111.459 169.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.77 -52.89 63.16 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.612 0.642 . . . . 0.0 111.243 172.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 68.1 mt -59.16 -35.64 73.88 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.132 0.878 . . . . 0.0 112.903 173.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.3 t -59.26 -49.73 76.7 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.099 0.96 . . . . 0.0 111.939 172.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -42.13 93.38 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 122.979 0.512 . . . . 0.0 112.23 171.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.1 m -65.73 -42.6 90.81 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -75.26 -34.72 61.4 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.163 0.985 . . . . 0.0 112.671 176.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.81 -38.05 89.67 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.377 -0.827 . . . . 0.0 111.135 168.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -64.13 -27.1 68.85 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.688 1.195 . . . . 0.0 113.211 170.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.7 m . . . . . 0 N--CA 1.476 0.856 0 CA-C-N 121.318 1.872 . . . . 0.0 112.581 173.286 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 m . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 121.226 0.536 . . . . 0.0 112.082 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -73.08 -33.54 65.69 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.2 p -64.33 -43.34 94.95 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.755 0.707 . . . . 0.0 112.535 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 m -65.25 -34.53 78.58 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 173.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.51 -46.11 60.58 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.362 0.665 . . . . 0.0 112.016 176.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -55.1 -48.46 73.54 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.34 1.056 . . . . 0.0 111.086 170.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.0 -28.94 69.85 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 175.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -65.88 -52.05 53.46 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 121.003 1.729 . . . . 0.0 111.797 172.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.49 -44.22 79.03 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.537 -0.727 . . . . 0.0 112.315 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.06 -48.74 77.81 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 123.312 0.645 . . . . 0.0 111.113 172.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.4 t -62.19 -41.16 98.09 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 118.338 -0.839 . . . . 0.0 111.918 176.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.4 t -54.46 -46.82 73.4 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.818 1.19 . . . . 0.0 112.132 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.7 m -75.0 -39.37 61.26 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 174.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.8 mt -68.0 -32.85 73.54 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.94 1.246 . . . . 0.0 112.65 177.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.2 -32.28 64.7 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.155 0.982 . . . . 0.0 113.194 173.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.06 -12.42 59.32 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 118.871 0.76 . . . . 0.0 112.606 172.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.2 t -88.52 83.69 6.8 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.776 1.231 . . . . 0.0 111.95 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.3 m -53.99 -26.75 27.53 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 172.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.66 -36.26 83.15 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.403 1.002 . . . . 0.0 113.217 172.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.3 mm -72.52 -41.19 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.593 0.757 . . . . 0.0 110.367 174.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -59.39 -45.36 91.67 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.46 -0.775 . . . . 0.0 111.344 173.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.58 -38.98 93.2 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 117.872 -1.061 . . . . 0.0 113.624 172.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.4 -49.82 69.02 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 119.984 1.265 . . . . 0.0 112.019 171.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -72.21 -29.35 63.88 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.01 -26.86 39.67 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.486 1.039 . . . . 0.0 113.305 175.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.6 t -65.5 -48.38 72.79 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.762 0.825 . . . . 0.0 112.672 177.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.2 m -66.75 146.39 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 123.447 0.699 . . . . 0.0 112.093 173.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.64 13.78 5.41 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.3 1.04 . . . . 0.0 113.518 -177.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.1 m -140.17 139.13 35.65 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.828 1.651 . . . . 0.0 109.654 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.86 -31.31 69.65 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 178.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.3 m -73.44 -30.49 63.24 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 172.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.27 -40.04 67.93 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.154 -0.966 . . . . 0.0 110.198 171.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.4 -45.81 82.54 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.58 0.752 . . . . 0.0 112.697 174.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.1 p -65.5 -37.09 85.77 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.433 -0.792 . . . . 0.0 111.79 175.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.6 t -68.45 -37.97 80.71 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.507 1.049 . . . . 0.0 113.642 173.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -47.05 87.7 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 120.119 1.327 . . . . 0.0 110.186 169.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.38 -30.41 71.55 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.045 0.938 . . . . 0.0 112.544 177.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -68.85 -53.32 22.01 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.096 0.558 . . . . 0.0 110.866 170.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -59.59 -51.64 68.97 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.395 0.998 . . . . 0.0 112.733 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.459 ' CD1' HD22 ' A' ' 111' ' ' LEU . 2.3 pp -65.35 -29.31 46.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 118.584 0.629 . . . . 0.0 112.432 177.049 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.33 -40.41 55.26 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 124.867 1.223 . . . . 0.0 113.546 175.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 73.1 mt -60.6 -44.43 96.28 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.482 1.641 . . . . 0.0 111.267 171.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.8 m -61.23 -49.07 78.61 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.317 1.047 . . . . 0.0 111.859 175.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.12 -44.84 95.76 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.716 -0.615 . . . . 0.0 112.378 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.08 -41.94 97.57 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.091 1.356 . . . . 0.0 112.271 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.2 mtp85 -66.0 -42.55 89.59 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.598 0.759 . . . . 0.0 112.719 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.7 m -63.5 -34.46 77.82 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 173.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.3 mt -86.32 -14.32 43.95 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.685 1.194 . . . . 0.0 113.686 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.44 22.78 33.36 Favored Glycine 0 CA--C 1.54 1.651 0 C-N-CA 125.141 1.353 . . . . 0.0 116.433 172.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.448 HG22 ' H ' ' A' ' 53' ' ' SER . 1.4 mp -66.62 134.73 29.63 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 C-N-CA 125.487 1.515 . . . . 0.0 111.11 -174.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.92 0.89 22.42 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.448 ' H ' HG22 ' A' ' 51' ' ' ILE . 7.3 t -149.99 57.81 0.97 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.537 1.135 . . . . 0.0 110.409 -174.13 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -52.76 -43.28 65.7 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 120.906 -1.121 . . . . 0.0 112.327 -172.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.3 p -59.46 -30.87 68.82 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.544 1.938 . . . . 0.0 114.122 175.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.05 -42.48 23.64 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.04 0.836 . . . . 0.0 112.421 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.6 tt -66.77 -49.52 65.65 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.568 1.076 . . . . 0.0 110.789 175.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.31 -34.56 75.44 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.321 0.648 . . . . 0.0 112.668 175.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -65.06 -40.61 97.13 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 124.934 1.254 . . . . 0.0 113.361 172.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.77 94.94 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 118.613 1.207 . . . . 0.0 112.198 169.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.8 mt -65.44 -37.03 85.68 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 120.011 1.278 . . . . 0.0 112.679 173.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.85 -49.56 77.0 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.992 0.917 . . . . 0.0 110.766 173.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -65.14 -32.07 73.58 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.49 -51.42 63.07 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.543 1.065 . . . . 0.0 112.183 176.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.7 t -66.84 -42.1 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.137 0.975 . . . . 0.0 111.374 177.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.55 -21.78 65.14 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 123.378 0.513 . . . . 0.0 114.314 171.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.99 -34.67 82.44 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.135 1.35 . . . . 0.0 114.239 177.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.4 t -84.42 -37.07 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 117.874 0.837 . . . . 0.0 110.662 168.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.08 172.19 30.05 Favored Glycine 0 CA--C 1.542 1.725 0 C-N-CA 123.718 0.675 . . . . 0.0 113.852 -174.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.06 156.19 18.56 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 -176.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.61 51.23 8.37 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 123.944 0.783 . . . . 0.0 113.408 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -137.65 164.16 29.49 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.901 1.281 . . . . 0.0 113.378 -176.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.0 t -62.08 146.26 50.89 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.268 1.027 . . . . 0.0 112.814 177.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.23 -32.67 62.47 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 167.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.3 t -65.33 -38.83 91.35 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.54 0.609 . . . . 0.0 112.437 174.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.17 -48.38 73.68 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.362 -0.836 . . . . 0.0 112.082 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -66.3 -43.63 85.74 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.737 -0.602 . . . . 0.0 112.049 175.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.69 98.21 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.588 0.755 . . . . 0.0 112.37 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -65.5 -41.93 92.67 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 118.583 -0.722 . . . . 0.0 111.3 174.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.38 86.15 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.385 0.993 . . . . 0.0 112.381 175.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 68.7 mt -60.24 -49.11 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 123.502 0.721 . . . . 0.0 110.811 174.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.04 -28.31 67.29 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.505 -0.759 . . . . 0.0 112.672 -178.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.56 -35.22 60.69 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 120.21 1.368 . . . . 0.0 112.291 170.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.83 -47.49 25.42 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.098 0.863 . . . . 0.0 112.819 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.54 -47.56 69.89 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.071 0.549 . . . . 0.0 110.329 161.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -51.76 -49.44 47.41 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 124.208 0.909 . . . . 0.0 113.809 177.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -59.3 -43.98 92.56 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.558 1.179 . . . . 0.0 111.711 173.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -66.16 -46.21 78.22 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 118.83 0.741 . . . . 0.0 112.848 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.6 mp -69.74 -28.08 65.49 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.942 1.297 . . . . 0.0 111.588 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.3 -47.04 71.79 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.417 1.008 . . . . 0.0 111.873 169.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.2 p -67.13 -25.17 66.05 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.69 1.132 . . . . 0.0 113.203 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -78.45 -11.17 59.94 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.831 1.196 . . . . 0.0 113.852 169.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.76 12.94 71.39 Favored Glycine 0 CA--C 1.537 1.41 0 CA-C-N 119.06 0.845 . . . . 0.0 114.748 -173.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.4 t -65.48 -34.0 67.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.637 1.175 . . . . 0.0 111.317 172.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.3 mt -78.81 121.18 24.47 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.748 -0.595 . . . . 0.0 111.181 173.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 34.4 p30 -150.96 158.97 44.81 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.709 2.004 . . . . 0.0 111.818 -173.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.06 -10.84 24.53 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 120.656 -1.277 . . . . 0.0 114.432 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 36.4 t -56.61 -50.19 74.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.756 1.222 . . . . 0.0 111.673 171.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -174.91 36.31 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -177.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -49.66 -32.87 14.12 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.578 -1.326 . . . . 0.0 114.145 173.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.4 t -59.72 -66.31 0.54 Allowed 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 122.768 0.427 . . . . 0.0 111.556 168.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.3 m -58.57 -27.99 65.13 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -176.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.4 -21.95 66.8 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.742 1.156 . . . . 0.0 113.469 172.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.95 -43.32 93.88 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 124.26 0.933 . . . . 0.0 112.651 169.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.4 m -59.63 -41.5 90.6 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 118.152 0.976 . . . . 0.0 111.728 167.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.58 99.24 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.414 1.006 . . . . 0.0 112.686 177.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.89 -47.95 75.98 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.095 0.861 . . . . 0.0 111.289 172.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.08 -33.44 67.29 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.677 1.126 . . . . 0.0 113.123 176.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -67.25 -41.34 85.75 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 119.227 0.921 . . . . 0.0 112.225 171.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.07 87.96 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.116 0.871 . . . . 0.0 112.7 171.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.459 HD22 ' CD1' ' A' ' 41' ' ' ILE . 56.1 mt -62.54 -37.46 86.18 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.534 0.734 . . . . 0.0 111.733 173.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 32.4 t -65.55 -45.09 84.74 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.021 0.928 . . . . 0.0 111.775 176.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -55.16 -46.91 75.77 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.536 0.607 . . . . 0.0 111.062 170.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 59.8 m -62.42 -41.41 98.67 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 176.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -75.19 -34.0 61.48 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.76 1.164 . . . . 0.0 113.167 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.09 -41.77 94.67 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 118.597 0.635 . . . . 0.0 111.223 165.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -58.37 -27.31 64.11 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.47 1.108 . . . . 0.0 113.457 172.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.0 m -57.69 -20.76 36.25 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 121.101 1.773 . . . . 0.0 114.058 171.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -74.01 -12.71 60.71 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 170.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 78.5 t -59.6 -43.05 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 CA-C-N 119.77 1.168 . . . . 0.0 110.896 169.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.0 m -68.62 -23.44 64.44 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.985 0.914 . . . . 0.0 113.293 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 49.87 34.58 22.8 Favored Glycine 0 CA--C 1.538 1.51 0 C-N-CA 126.055 1.788 . . . . 0.0 116.238 173.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -147.79 -33.0 0.26 Allowed 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 177.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -27.81 68.38 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.37 38.39 0.11 Allowed 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 125.756 1.622 . . . . 0.0 112.862 173.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 75.84 -37.26 1.25 Allowed Glycine 0 CA--C 1.538 1.485 0 C-N-CA 127.304 2.383 . . . . 0.0 115.225 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 63.31 147.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 129.722 3.209 . . . . 0.0 114.981 -174.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -154.82 167.38 30.43 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.054 1.741 . . . . 0.0 111.669 178.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -139.58 31.35 2.08 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.369 1.467 . . . . 0.0 112.336 -178.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 . . . . . 0 C--O 1.248 0.981 0 C-N-CA 128.0 2.52 . . . . 0.0 110.597 178.459 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -78.61 -42.75 28.07 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.574 0.75 . . . . 0.0 112.29 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.8 p -65.1 -43.58 91.61 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.491 0.716 . . . . 0.0 112.088 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 m -64.59 -38.15 90.01 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.579 0.751 . . . . 0.0 112.859 174.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.47 -44.9 66.81 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.94 0.791 . . . . 0.0 112.102 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.447 ' CD1' HD21 ' A' ' 95' ' ' LEU . 58.5 t80 -58.37 -50.95 71.84 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.995 0.918 . . . . 0.0 110.691 172.186 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.59 -28.29 69.78 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 118.09 -0.957 . . . . 0.0 113.249 175.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -66.56 -54.42 23.82 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 121.169 1.804 . . . . 0.0 112.174 172.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.28 -38.53 85.21 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.719 -0.613 . . . . 0.0 111.792 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.77 -52.28 65.78 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 118.441 -0.79 . . . . 0.0 110.985 172.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.2 m -56.02 -41.08 74.39 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.257 0.935 . . . . 0.0 112.473 175.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.3 t -66.47 -50.33 63.66 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.193 0.906 . . . . 0.0 112.115 176.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.6 m -72.2 -15.75 61.95 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 pp -96.42 -28.1 14.6 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.403 1.001 . . . . 0.0 112.468 170.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.7 -30.7 71.72 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.734 1.152 . . . . 0.0 111.817 174.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.1 p -78.45 1.82 20.92 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.812 1.245 . . . . 0.0 113.936 169.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.1 m -109.84 76.17 0.98 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.117 1.767 . . . . 0.0 110.832 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.5 m -52.07 -26.35 10.79 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 176.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.2 -37.57 87.74 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 171.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.3 mt -64.6 -50.94 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.879 0.872 . . . . 0.0 109.449 172.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.0 m -60.42 -41.75 94.59 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -64.88 -42.63 94.65 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 117.724 -1.132 . . . . 0.0 112.711 172.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.6 -37.96 74.11 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 120.212 1.369 . . . . 0.0 112.017 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -75.17 -31.97 61.13 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 173.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.51 -28.65 52.17 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.52 1.055 . . . . 0.0 113.397 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.1 m -67.09 -33.18 74.93 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.447 1.499 . . . . 0.0 113.273 174.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.3 m -86.41 120.57 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 123.744 0.818 . . . . 0.0 111.548 175.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.3 m -124.69 30.27 6.0 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.609 1.564 . . . . 0.0 111.881 -178.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -144.84 137.66 26.49 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 126.985 2.114 . . . . 0.0 109.323 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.0 -35.6 77.27 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.1 m -68.25 -40.51 81.92 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 171.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.66 -44.78 85.3 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.762 0.71 . . . . 0.0 111.101 175.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.6 -38.63 84.28 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.547 1.139 . . . . 0.0 112.295 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 t -52.92 -55.31 24.27 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.888 1.275 . . . . 0.0 110.768 166.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.8 t -63.48 -27.76 69.5 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 176.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.62 -54.91 13.55 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 120.839 -1.163 . . . . 0.0 110.482 174.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.403 ' HB2' HG21 ' A' ' 65' ' ' VAL . . . -63.45 -26.72 68.86 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.308 0.643 . . . . 0.0 112.478 173.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -65.27 -52.37 54.71 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 123.58 0.752 . . . . 0.0 110.743 168.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -64.97 -44.83 88.06 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 120.849 1.658 . . . . 0.0 113.019 177.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.486 ' HA ' ' HB3' ' A' ' 114' ' ' SER . 8.6 mt -60.94 -47.3 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 124.033 0.933 . . . . 0.0 110.83 175.352 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.48 -38.71 95.1 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-O 118.698 -1.057 . . . . 0.0 113.397 176.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.73 -43.01 97.79 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 119.259 1.53 . . . . 0.0 111.747 175.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.8 t -71.93 -34.31 68.94 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.406 1.003 . . . . 0.0 111.905 -179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.78 -50.06 70.51 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.181 -0.949 . . . . 0.0 111.374 167.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.11 -47.79 82.18 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.734 1.214 . . . . 0.0 112.998 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 ptm85 -67.53 -38.67 84.58 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.404 0.682 . . . . 0.0 112.437 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.5 m -68.68 -27.83 66.32 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.987 0.915 . . . . 0.0 113.221 174.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.1 mt -90.18 -2.37 58.05 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.341 1.457 . . . . 0.0 113.375 171.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.69 30.28 76.98 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.406 1.479 . . . . 0.0 115.628 177.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.6 mm -56.6 135.09 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.986 1.315 . . . . 0.0 111.516 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.7 15.87 0.96 Allowed 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -175.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 m -173.26 65.21 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 129.104 2.962 . . . . 0.0 108.569 -176.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -54.59 -39.81 68.21 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.971 -1.081 . . . . 0.0 111.366 -178.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.3 t -54.82 -34.46 62.81 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.496 1.919 . . . . 0.0 114.397 172.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.03 -41.42 35.72 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.061 -1.025 . . . . 0.0 112.172 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.34 -55.82 18.62 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 118.418 0.553 . . . . 0.0 110.022 175.231 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.73 -38.25 77.98 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.993 1.317 . . . . 0.0 112.89 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.27 -42.47 75.0 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 124.393 0.997 . . . . 0.0 113.19 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.45 -37.93 88.34 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.818 1.309 . . . . 0.0 112.221 172.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.435 HD22 HG23 ' A' ' 81' ' ' ILE . 72.6 mt -64.7 -39.87 94.4 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.215 -0.928 . . . . 0.0 112.688 171.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.13 -43.32 98.71 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.528 1.131 . . . . 0.0 112.407 173.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -61.64 -36.97 82.3 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.891 1.276 . . . . 0.0 112.392 172.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.25 -49.17 70.67 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.538 0.735 . . . . 0.0 112.182 176.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.403 HG21 ' HB2' ' A' ' 38' ' ' ALA . 3.3 t -61.91 -45.67 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 123.624 0.769 . . . . 0.0 112.296 174.289 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.38 -15.2 51.53 Favored Glycine 0 CA--C 1.54 1.654 0 C-N-CA 123.857 0.741 . . . . 0.0 114.159 172.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -79.17 -32.15 40.17 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.569 1.557 . . . . 0.0 113.76 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.9 t -75.12 -50.41 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 118.511 1.155 . . . . 0.0 111.029 174.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 131.22 -159.6 23.13 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.672 1.129 . . . . 0.0 113.86 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -113.13 144.05 43.31 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.959 1.304 . . . . 0.0 111.469 173.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.44 14.28 82.12 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 124.072 0.844 . . . . 0.0 115.003 -177.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.71 174.72 6.43 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 118.619 1.209 . . . . 0.0 112.57 174.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.3 t -66.12 145.22 56.08 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.065 -1.022 . . . . 0.0 111.639 172.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.05 -43.45 40.84 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.848 0.859 . . . . 0.0 112.432 168.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.6 t -64.28 -29.19 70.29 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 177.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.43 -45.01 61.57 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 120.803 -1.186 . . . . 0.0 112.286 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -60.41 -45.35 93.92 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.253 0.621 . . . . 0.0 111.833 170.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.26 -41.9 98.86 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 123.109 0.564 . . . . 0.0 112.424 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -67.21 -39.51 86.32 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.698 0.681 . . . . 0.0 111.07 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.41 -45.42 84.62 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.36 0.982 . . . . 0.0 112.057 172.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.435 HG23 HD22 ' A' ' 61' ' ' LEU . 60.7 mt -72.11 -46.19 59.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 123.637 0.775 . . . . 0.0 111.88 178.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.52 -37.22 86.81 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.323 0.965 . . . . 0.0 112.096 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -72.47 -42.64 64.72 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 117.451 -1.261 . . . . 0.0 112.252 170.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.96 -45.87 83.91 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 121.185 1.811 . . . . 0.0 112.38 178.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.36 99.01 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.187 0.995 . . . . 0.0 111.98 170.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.91 -45.64 93.61 Favored Glycine 0 CA--C 1.526 0.76 0 C-N-CA 123.704 0.668 . . . . 0.0 113.183 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -62.78 -38.89 92.41 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.145 1.378 . . . . 0.0 111.523 171.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -62.31 -49.17 76.69 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.154 0.888 . . . . 0.0 111.197 173.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.6 mt -68.3 -22.9 64.69 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.507 -1.371 . . . . 0.0 113.375 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.79 -50.95 61.02 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 119.518 1.054 . . . . 0.0 111.521 167.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.2 p -71.15 -29.13 64.84 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -73.68 -9.36 58.59 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 167.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 67.36 19.58 70.7 Favored Glycine 0 CA--C 1.538 1.501 0 O-C-N 121.102 -0.999 . . . . 0.0 114.422 -176.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.2 t -73.75 -27.02 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.974 1.309 . . . . 0.0 111.487 173.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.447 HD21 ' CD1' ' A' ' 7' ' ' PHE . 70.3 mt -75.11 127.23 32.73 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.756 0.707 . . . . 0.0 111.652 169.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -141.58 143.51 33.75 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.365 1.866 . . . . 0.0 108.859 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.48 -15.39 6.82 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 41.6 t -49.34 -45.71 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 126.415 1.886 . . . . 0.0 112.066 167.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -165.81 26.41 0.05 OUTLIER 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -175.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -51.03 -37.8 47.51 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 120.154 -1.591 . . . . 0.0 113.377 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.47 -64.09 1.06 Allowed 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 123.473 0.709 . . . . 0.0 111.063 168.505 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.2 t -60.03 -29.04 68.24 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -174.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 66.8 mt -62.59 -23.68 67.16 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 120.242 -1.536 . . . . 0.0 113.431 169.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.33 -41.96 99.65 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 124.099 0.857 . . . . 0.0 112.192 168.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.0 t -61.73 -44.25 97.28 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 117.459 0.63 . . . . 0.0 111.431 169.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.86 -46.26 85.06 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.277 0.944 . . . . 0.0 113.483 178.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.75 -44.27 70.55 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.499 -0.75 . . . . 0.0 111.168 175.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.97 -33.62 72.19 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 120.608 -1.307 . . . . 0.0 113.452 175.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -66.84 -39.41 87.62 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.072 0.851 . . . . 0.0 111.432 171.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.46 -53.23 60.65 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.646 0.657 . . . . 0.0 111.23 170.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.404 HD22 HG22 ' A' ' 41' ' ' ILE . 57.2 mt -60.85 -31.29 70.74 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.01 0.924 . . . . 0.0 113.154 176.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 32.7 t -68.85 -45.53 70.84 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.292 1.037 . . . . 0.0 111.89 175.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -57.61 -41.94 82.26 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.333 0.515 . . . . 0.0 111.311 167.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.486 ' HB3' ' HA ' ' A' ' 41' ' ' ILE . 4.0 m -61.63 -42.32 98.73 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 175.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -71.66 -42.14 67.88 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.315 1.046 . . . . 0.0 112.322 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.42 -39.63 88.1 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.565 0.746 . . . . 0.0 111.74 171.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -69.55 -36.19 76.11 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.823 0.849 . . . . 0.0 113.107 171.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.6 t -56.99 -46.22 82.4 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.035 -1.041 . . . . 0.0 110.737 173.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.01 -13.43 16.37 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 170.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.23 -23.31 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.993 1.317 . . . . 0.0 112.84 174.01 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 24.9 t -68.02 -17.13 64.32 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.028 1.331 . . . . 0.0 114.069 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 74.03 -30.88 0.94 Allowed Glycine 0 N--CA 1.478 1.499 0 C-N-CA 125.402 1.477 . . . . 0.0 114.192 -176.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -58.04 -15.6 9.82 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.042 1.337 . . . . 0.0 113.482 168.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -55.33 -34.39 64.18 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.496 1.119 . . . . 0.0 113.981 173.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.45 8.93 44.23 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.336 1.054 . . . . 0.0 113.088 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 66.08 54.35 24.84 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 123.817 0.722 . . . . 0.0 112.549 -175.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 9.8 p -44.6 144.48 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 125.972 1.709 . . . . 0.0 113.388 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 44.5 m 59.93 65.81 1.06 Allowed 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.947 1.699 . . . . 0.0 113.205 -167.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -91.6 40.72 1.04 Allowed 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 124.891 1.276 . . . . 0.0 113.522 -177.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 42.2 t30 . . . . . 0 C--O 1.254 1.321 0 O-C-N 120.793 -1.192 . . . . 0.0 112.521 -179.363 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 CA--C 1.547 0.843 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -133.88 -50.14 0.83 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.571 1.549 . . . . 0.0 110.194 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.2 m -65.75 -40.26 91.9 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.603 1.161 . . . . 0.0 112.257 174.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -65.26 -35.36 80.8 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.583 0.753 . . . . 0.0 112.049 174.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.452 ' HB1' ' HB3' ' A' ' 101' ' ' SER . . . -70.5 -43.54 69.48 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.648 0.779 . . . . 0.0 111.513 177.06 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -56.87 -48.31 78.42 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.127 0.971 . . . . 0.0 110.832 170.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.18 -33.5 74.64 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 174.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -61.74 -53.22 58.93 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 120.623 1.556 . . . . 0.0 112.265 176.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.46 -41.23 80.53 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.817 0.735 . . . . 0.0 112.07 178.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.61 -51.66 68.86 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 119.281 -0.39 . . . . 0.0 111.326 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.2 m -62.29 -34.09 75.91 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 118.073 -0.965 . . . . 0.0 113.015 173.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 m -58.24 -46.41 86.0 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 120.788 1.631 . . . . 0.0 112.037 171.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.8 t -70.44 -52.14 24.37 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.337 0.517 . . . . 0.0 111.489 174.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.8 mt -61.34 -32.4 72.28 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 120.393 -1.442 . . . . 0.0 113.387 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.53 -25.7 61.48 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.504 1.122 . . . . 0.0 113.656 172.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.97 -20.32 27.46 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.176 0.991 . . . . 0.0 112.389 173.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.8 m -88.86 80.35 7.16 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.301 1.841 . . . . 0.0 111.845 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.8 m -54.39 -26.83 32.56 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 120.766 -1.209 . . . . 0.0 114.018 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.52 -27.98 51.98 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.052 1.131 . . . . 0.0 114.052 172.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.49 HD11 ' HA ' ' A' ' 112' ' ' SER . 26.3 mm -73.64 -45.29 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.879 1.271 . . . . 0.0 110.574 175.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.439 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . 29.8 t -56.61 -44.64 81.36 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 123.159 0.584 . . . . 0.0 111.289 171.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -62.02 -44.36 96.88 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.971 1.308 . . . . 0.0 112.679 176.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.66 95.95 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 118.98 0.809 . . . . 0.0 112.429 174.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -79.05 -22.16 45.76 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 177.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.3 -23.86 27.94 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.815 1.246 . . . . 0.0 112.89 174.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.8 t -56.09 -44.68 79.26 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.098 0.959 . . . . 0.0 111.576 168.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.9 m -83.43 144.98 9.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 123.827 0.851 . . . . 0.0 111.719 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.0 m -124.98 17.53 8.52 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.601 1.56 . . . . 0.0 112.163 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.7 t -138.01 140.16 40.01 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.243 1.417 . . . . 0.0 110.352 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.25 -43.35 98.27 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 122.844 0.457 . . . . 0.0 110.677 -177.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.4 m -60.23 -36.9 78.77 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 172.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.94 -42.32 85.5 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.281 0.946 . . . . 0.0 111.713 175.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.3 -42.8 96.18 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.139 0.575 . . . . 0.0 112.105 172.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.5 m -57.32 -48.53 78.72 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.627 1.171 . . . . 0.0 111.843 173.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.5 m -66.24 -31.44 72.27 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.931 0.893 . . . . 0.0 113.342 175.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mt -65.11 -51.74 59.53 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.715 1.143 . . . . 0.0 110.999 171.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.61 -33.47 68.26 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.345 1.058 . . . . 0.0 112.22 174.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.421 ' HA ' ' HB1' ' A' ' 58' ' ' ALA . 14.0 t80 -67.88 -51.32 49.42 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.893 0.877 . . . . 0.0 111.892 172.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -58.96 -52.34 66.18 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.555 1.142 . . . . 0.0 112.572 178.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.7 pt -69.94 -33.4 55.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 O-C-N 121.829 -0.545 . . . . 0.0 111.683 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.33 -41.77 96.45 Favored Glycine 0 CA--C 1.526 0.735 0 C-N-CA 125.13 1.348 . . . . 0.0 112.541 174.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mp -60.03 -41.96 93.35 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.994 1.397 . . . . 0.0 112.329 171.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.3 t -64.05 -50.16 69.5 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.739 0.7 . . . . 0.0 111.754 175.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.5 95.57 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.596 -0.69 . . . . 0.0 112.29 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.32 94.91 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.502 1.121 . . . . 0.0 112.744 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -62.25 -43.57 98.53 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.066 0.946 . . . . 0.0 111.993 171.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.8 m -64.0 -30.01 71.12 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 173.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.4 mt -93.62 5.65 50.91 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.672 1.589 . . . . 0.0 113.232 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.52 29.95 64.49 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 125.653 1.597 . . . . 0.0 115.3 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.441 HG22 ' H ' ' A' ' 53' ' ' SER . 44.3 mm -60.53 136.0 24.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.374 1.469 . . . . 0.0 111.318 -176.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.12 11.57 2.73 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -175.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.441 ' H ' HG22 ' A' ' 51' ' ' ILE . 1.6 m -175.17 68.23 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 129.044 2.938 . . . . 0.0 108.82 -176.284 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -51.31 -41.79 60.75 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 121.227 -0.92 . . . . 0.0 111.209 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.2 p -60.5 -29.53 69.15 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 127.915 2.486 . . . . 0.0 114.479 177.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.53 -40.94 15.76 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 119.358 0.981 . . . . 0.0 111.803 175.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -57.66 11.86 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.895 0.878 . . . . 0.0 109.721 174.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.421 ' HB1' ' HA ' ' A' ' 39' ' ' TYR . . . -69.17 -27.49 65.57 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.401 1.48 . . . . 0.0 112.987 178.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -63.87 -42.25 98.48 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 124.187 0.899 . . . . 0.0 112.486 171.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.9 -40.31 95.0 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 117.966 0.883 . . . . 0.0 111.937 170.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.2 mt -66.27 -40.48 90.15 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.82 0.737 . . . . 0.0 112.68 175.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.58 -48.86 79.89 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.218 1.007 . . . . 0.0 111.269 173.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -65.87 -28.81 69.24 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 175.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.77 -48.15 60.3 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.313 0.96 . . . . 0.0 112.123 173.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.6 t -64.71 -49.69 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.821 1.248 . . . . 0.0 112.224 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.46 -19.05 68.4 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 123.772 0.701 . . . . 0.0 113.69 173.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.23 -37.94 87.17 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.482 1.515 . . . . 0.0 113.571 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.3 t -76.4 -48.4 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 117.97 0.885 . . . . 0.0 110.837 172.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 118.43 179.16 17.06 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.232 1.396 . . . . 0.0 113.652 178.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.08 155.89 39.8 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.577 -0.955 . . . . 0.0 112.748 174.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.33 9.19 57.33 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.216 0.912 . . . . 0.0 115.022 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.99 166.32 16.06 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 118.343 1.072 . . . . 0.0 111.89 173.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 32.7 t -67.94 151.06 47.72 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.512 -0.743 . . . . 0.0 111.636 174.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.439 ' HB2' ' HA ' ' A' ' 22' ' ' SER . . . -54.02 -40.53 67.12 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 123.374 0.67 . . . . 0.0 112.211 168.117 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.8 t -62.13 -36.69 82.54 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 123.347 0.659 . . . . 0.0 111.856 174.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.73 -46.38 72.33 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.654 1.116 . . . . 0.0 112.259 175.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -64.26 -47.67 78.69 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.131 0.878 . . . . 0.0 112.442 175.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.36 -42.49 98.88 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.425 1.09 . . . . 0.0 112.342 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -64.53 -44.34 91.15 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 119.397 0.999 . . . . 0.0 111.201 172.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.69 -43.59 93.98 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.293 0.951 . . . . 0.0 111.325 177.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 54.7 mt -64.76 -48.12 85.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 124.386 1.074 . . . . 0.0 111.694 171.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.82 -31.11 71.88 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.382 0.992 . . . . 0.0 112.953 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.4 mmm-85 -80.64 -36.92 31.88 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.711 1.604 . . . . 0.0 112.203 171.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.89 -52.83 25.34 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 120.447 1.476 . . . . 0.0 111.291 174.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.35 -44.62 88.85 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.555 1.142 . . . . 0.0 111.598 169.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.07 -50.77 62.17 Favored Glycine 0 CA--C 1.524 0.613 0 CA-C-O 119.172 -0.794 . . . . 0.0 112.913 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -63.17 -42.1 99.34 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.759 1.279 . . . . 0.0 111.954 174.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -63.2 -52.06 63.81 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.819 1.19 . . . . 0.0 111.166 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 38.3 mt -67.57 -26.94 66.53 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 120.391 -1.443 . . . . 0.0 112.58 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.35 -47.58 70.0 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.379 0.991 . . . . 0.0 112.591 168.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 64.1 p -69.13 -28.82 66.8 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.249 0.931 . . . . 0.0 112.859 177.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -75.52 -10.14 59.18 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 167.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 62.26 22.6 63.33 Favored Glycine 0 CA--C 1.539 1.572 0 O-C-N 121.1 -1.0 . . . . 0.0 114.344 -174.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.9 t -66.99 -37.16 78.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.775 1.23 . . . . 0.0 110.989 173.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 pp -95.31 155.52 16.7 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.567 1.147 . . . . 0.0 111.497 170.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -148.71 152.69 37.07 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.809 1.644 . . . . 0.0 108.812 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.57 -20.13 2.78 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 58.1 t -42.93 -48.54 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 127.234 2.214 . . . . 0.0 112.586 166.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -160.36 24.44 0.16 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.175 1.39 . . . . 0.0 113.409 -176.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.22 -39.41 63.74 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 120.61 -1.306 . . . . 0.0 112.68 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.452 ' HB3' ' HB1' ' A' ' 6' ' ' ALA . 14.0 p -63.49 -58.62 6.44 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 117.909 0.322 . . . . 0.0 110.77 171.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.37 -37.14 64.62 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -179.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 47.0 mt -68.23 -23.1 64.77 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 120.989 -1.069 . . . . 0.0 113.662 174.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.56 -47.04 91.13 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 123.653 0.644 . . . . 0.0 111.845 167.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.1 m -62.88 -37.33 86.45 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 117.673 0.736 . . . . 0.0 112.661 170.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.2 -47.03 84.26 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 119.735 1.152 . . . . 0.0 112.886 177.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.4 tt -66.27 -40.88 90.44 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.32 -0.863 . . . . 0.0 111.876 171.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.68 -34.81 77.89 Favored 'General case' 0 C--O 1.224 -0.25 0 O-C-N 121.423 -0.798 . . . . 0.0 112.262 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -66.31 -37.78 86.19 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.092 0.86 . . . . 0.0 111.859 170.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.35 -47.04 80.87 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.43 1.014 . . . . 0.0 112.568 174.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 73.0 mt -67.32 -33.22 74.81 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.456 -0.778 . . . . 0.0 112.174 172.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.49 ' HA ' HD11 ' A' ' 21' ' ' ILE . 21.0 t -64.05 -46.11 85.83 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.721 174.115 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.68 -33.53 70.24 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.662 1.119 . . . . 0.0 112.91 171.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.3 t -78.74 -43.06 26.54 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.535 1.134 . . . . 0.0 113.254 -177.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.56 -44.73 81.53 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.133 -0.979 . . . . 0.0 111.47 168.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.85 -27.32 66.56 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.366 1.066 . . . . 0.0 112.651 172.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.28 -54.99 24.55 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 119.736 1.153 . . . . 0.0 111.876 175.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.5 t -64.39 -41.19 96.8 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 117.738 0.244 . . . . 0.0 110.803 174.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.99 -25.8 67.13 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 174.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.98 -27.83 40.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 O-C-N 120.973 -1.079 . . . . 0.0 112.603 174.382 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.0 m -63.44 -19.65 64.89 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.037 0.935 . . . . 0.0 113.118 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 75.36 -44.9 1.71 Allowed Glycine 0 CA--C 1.531 1.089 0 C-N-CA 125.848 1.69 . . . . 0.0 113.193 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -63.67 3.35 0.36 Allowed 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.153 1.381 . . . . 0.0 114.611 166.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -53.29 -37.97 62.69 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.79 1.236 . . . . 0.0 113.046 174.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.18 30.77 0.45 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.471 1.509 . . . . 0.0 112.849 177.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 88.42 -48.03 3.53 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 126.391 1.948 . . . . 0.0 112.612 -173.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.4 p -160.81 150.39 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.345 1.458 . . . . 0.0 111.21 175.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.3 t -158.68 168.15 27.65 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.647 1.179 . . . . 0.0 111.713 170.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -149.48 87.86 1.53 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.814 1.645 . . . . 0.0 109.716 175.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 . . . . . 0 C--O 1.253 1.282 0 C-N-CA 126.198 1.799 . . . . 0.0 113.112 -179.564 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 m . . . . . 0 N--CA 1.472 0.648 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -127.26 57.28 1.49 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.198 1.399 . . . . 0.0 110.469 -174.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.2 p -55.62 -33.68 64.22 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.31 -0.869 . . . . 0.0 113.102 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.2 m -63.53 -39.47 94.5 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.046 0.939 . . . . 0.0 112.924 173.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.67 -42.56 58.25 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.506 0.722 . . . . 0.0 111.186 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -54.41 -49.28 70.3 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.984 0.914 . . . . 0.0 110.607 170.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.08 -22.12 66.91 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 173.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -50.37 49.34 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 121.296 1.862 . . . . 0.0 111.115 172.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.58 -38.09 67.99 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.899 0.48 . . . . 0.0 110.391 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.83 -49.84 76.2 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 117.549 -1.215 . . . . 0.0 111.391 168.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.3 m -57.1 -41.48 79.0 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 121.022 1.737 . . . . 0.0 112.837 173.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.7 t -59.81 -46.61 88.67 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.267 0.94 . . . . 0.0 111.89 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.0 m -69.54 -50.3 46.26 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 173.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.91 -36.33 81.04 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.508 1.523 . . . . 0.0 113.049 -175.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.3 -25.77 63.48 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.841 0.857 . . . . 0.0 112.997 172.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.29 -32.17 33.28 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.775 1.63 . . . . 0.0 112.289 171.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.9 m -67.13 72.19 0.1 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 127.539 2.336 . . . . 0.0 112.385 176.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.3 t -53.01 -32.57 47.36 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.407 1.083 . . . . 0.0 112.895 177.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.22 -39.85 84.01 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 170.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 60.4 mt -74.66 -46.26 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.442 1.097 . . . . 0.0 110.555 176.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.4 m -60.01 -42.6 94.67 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.828 0.74 . . . . 0.0 112.487 176.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.4 mtm-85 -70.23 -35.96 74.19 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 117.487 -1.244 . . . . 0.0 113.158 173.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -44.39 94.42 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 120.718 1.599 . . . . 0.0 111.733 171.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -66.69 -35.05 79.23 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 174.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.0 -27.6 54.73 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.233 0.924 . . . . 0.0 113.184 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.0 t -68.53 -42.28 78.71 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.476 1.51 . . . . 0.0 112.163 176.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.4 m -74.75 141.78 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-O 121.482 0.658 . . . . 0.0 112.272 174.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -127.86 18.77 6.67 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.254 1.422 . . . . 0.0 112.468 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.0 m -142.79 139.13 30.85 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.116 1.766 . . . . 0.0 110.306 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.35 -36.15 75.2 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.325 0.65 . . . . 0.0 112.219 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.96 -27.25 63.6 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 172.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.11 -42.31 60.26 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 120.827 -1.17 . . . . 0.0 110.648 174.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.61 93.71 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.987 -0.445 . . . . 0.0 111.882 169.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.3 p -64.71 -38.27 90.43 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.136 0.88 . . . . 0.0 111.765 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.1 t -63.89 -44.65 92.38 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.522 1.129 . . . . 0.0 112.534 173.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.57 -46.85 84.0 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.461 1.028 . . . . 0.0 110.763 174.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.85 -31.69 72.76 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.397 1.079 . . . . 0.0 112.548 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -72.11 -46.11 57.97 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.096 0.958 . . . . 0.0 111.51 172.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -59.71 -54.22 48.84 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.262 0.937 . . . . 0.0 112.513 175.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.8 pt -69.15 -30.09 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 O-C-N 121.672 -0.642 . . . . 0.0 111.588 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.18 -40.13 82.42 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 124.57 1.081 . . . . 0.0 112.594 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mp -58.58 -48.94 79.27 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.822 1.249 . . . . 0.0 111.126 169.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.0 t -63.84 -41.5 97.8 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 177.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.99 -48.01 75.51 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.693 0.797 . . . . 0.0 111.148 176.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.18 97.02 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.561 1.144 . . . . 0.0 112.621 177.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -63.27 -44.34 95.38 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 119.448 1.022 . . . . 0.0 112.734 171.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 t -64.44 -42.02 96.24 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.068 0.947 . . . . 0.0 112.475 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.5 mt -75.59 -27.68 58.63 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.659 1.584 . . . . 0.0 113.522 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.89 27.19 8.48 Favored Glycine 0 CA--C 1.54 1.601 0 C-N-CA 125.159 1.362 . . . . 0.0 115.531 174.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.521 HG22 ' H ' ' A' ' 53' ' ' SER . 1.8 mp -68.34 132.26 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 125.123 1.369 . . . . 0.0 110.4 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.76 12.23 1.13 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 126.118 1.767 . . . . 0.0 115.188 -178.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.521 ' H ' HG22 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -165.65 52.72 0.1 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.418 1.887 . . . . 0.0 110.374 -171.759 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.3 p-10 -49.83 -41.88 45.91 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.996 -1.065 . . . . 0.0 113.229 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.4 p -61.43 -29.65 70.08 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.351 1.46 . . . . 0.0 114.445 174.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.37 -39.89 15.97 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.262 0.937 . . . . 0.0 112.018 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -58.27 9.19 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.319 1.047 . . . . 0.0 109.638 174.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.11 -29.38 69.69 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.305 1.042 . . . . 0.0 112.462 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -63.44 -46.87 91.59 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 123.877 0.751 . . . . 0.0 112.392 172.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.4 -40.34 96.18 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.803 -0.822 . . . . 0.0 112.131 172.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.58 -42.65 99.68 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.004 0.82 . . . . 0.0 112.35 173.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.7 -43.6 97.57 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.563 1.145 . . . . 0.0 112.011 176.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -68.92 -36.63 78.21 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 174.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.05 97.29 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.014 0.824 . . . . 0.0 112.313 173.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.5 t -60.02 -48.53 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 125.392 1.477 . . . . 0.0 111.533 172.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.31 -24.39 55.51 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 123.797 0.713 . . . . 0.0 114.147 173.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.64 -30.07 68.99 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.21 1.386 . . . . 0.0 114.479 174.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 67.5 t -79.76 -48.63 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 118.559 1.179 . . . . 0.0 111.157 175.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.42 162.55 31.43 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.577 1.084 . . . . 0.0 114.653 -176.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.55 160.07 32.2 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 -173.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.06 -10.53 9.54 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.213 1.387 . . . . 0.0 114.404 -174.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.27 160.29 16.1 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.659 1.184 . . . . 0.0 111.895 169.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.0 t -59.65 149.35 30.71 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.424 0.69 . . . . 0.0 112.261 177.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.05 -36.51 65.63 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.841 -0.537 . . . . 0.0 111.574 167.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 m -61.35 -34.54 75.45 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 172.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.62 -46.77 65.48 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 120.33 1.423 . . . . 0.0 111.811 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -63.7 -49.23 73.92 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.957 0.503 . . . . 0.0 112.307 173.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.59 -43.44 93.69 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.289 1.036 . . . . 0.0 111.698 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -62.2 -45.98 90.97 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-O 118.032 -0.985 . . . . 0.0 111.851 172.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.24 90.63 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 120.293 1.406 . . . . 0.0 112.817 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 53.8 mt -67.18 -45.46 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 123.609 0.764 . . . . 0.0 111.158 172.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.66 -34.45 77.12 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.172 0.896 . . . . 0.0 112.681 175.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -66.92 -42.62 85.06 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.022 1.729 . . . . 0.0 111.653 168.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.6 -34.72 46.55 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.055 1.298 . . . . 0.0 112.934 -174.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.29 -47.85 72.28 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.842 0.857 . . . . 0.0 110.937 164.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.25 -48.44 86.11 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 124.91 1.243 . . . . 0.0 113.668 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -63.52 -34.04 76.9 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.225 1.512 . . . . 0.0 111.799 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -65.75 -49.09 69.64 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.464 0.575 . . . . 0.0 110.207 174.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.6 mt -66.2 -24.19 66.57 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 120.999 -1.063 . . . . 0.0 113.046 173.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.77 -50.2 58.34 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 120.823 -1.173 . . . . 0.0 111.555 170.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 62.7 p -71.43 -27.29 63.18 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.451 -0.78 . . . . 0.0 113.071 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -77.1 -5.15 47.83 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 168.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 67.97 26.42 73.98 Favored Glycine 0 CA--C 1.539 1.539 0 CA-C-N 119.572 1.078 . . . . 0.0 114.379 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 40.8 t -85.99 -30.72 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.743 1.617 . . . . 0.0 111.805 175.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 24.9 mt -71.05 117.35 12.44 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.397 0.999 . . . . 0.0 110.315 169.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -137.87 151.88 48.49 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.491 1.516 . . . . 0.0 110.159 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.02 -13.73 5.22 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 173.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 41.6 t -47.81 -49.72 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 126.642 1.977 . . . . 0.0 111.879 168.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -174.93 32.94 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.529 1.531 . . . . 0.0 114.495 -176.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -49.51 -35.7 20.87 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 120.108 -1.62 . . . . 0.0 113.572 176.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.0 t -59.84 -61.81 2.34 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.361 0.665 . . . . 0.0 111.473 169.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -29.31 70.28 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -176.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.45 -28.31 69.72 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 120.796 -1.19 . . . . 0.0 112.889 170.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.45 -39.85 94.22 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 123.78 0.705 . . . . 0.0 112.43 171.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.41 -43.62 96.52 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 118.864 -0.589 . . . . 0.0 111.49 167.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.46 -46.21 89.4 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.67 1.123 . . . . 0.0 112.884 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -67.32 -44.58 78.79 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.611 -0.68 . . . . 0.0 111.792 177.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.46 -32.92 74.58 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 120.991 -1.068 . . . . 0.0 113.22 177.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -66.37 -37.76 86.03 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.992 0.815 . . . . 0.0 111.407 170.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.6 -45.94 84.8 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.936 0.789 . . . . 0.0 112.489 173.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 53.9 mt -64.39 -36.3 83.71 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.481 -0.762 . . . . 0.0 112.382 172.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 34.9 t -62.48 -42.49 99.52 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.141 0.976 . . . . 0.0 112.069 173.175 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.29 -47.31 78.9 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.981 0.912 . . . . 0.0 111.294 171.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 51.9 m -70.82 -30.2 66.56 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -75.41 -37.86 60.19 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.218 1.007 . . . . 0.0 112.353 174.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.82 -39.09 90.57 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.724 -0.61 . . . . 0.0 111.19 166.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -64.53 -34.07 77.37 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 170.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.0 t -58.08 -29.91 65.81 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 120.638 -1.289 . . . . 0.0 112.738 172.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -81.8 2.9 28.0 Favored 'General case' 0 CA--C 1.553 1.095 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 175.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 18.3 t -56.83 -49.54 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 CA-C-N 120.493 1.497 . . . . 0.0 112.032 174.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.4 m -92.17 2.91 56.31 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.775 1.23 . . . . 0.0 112.189 172.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 62.2 -7.49 0.2 Allowed Glycine 0 CA--C 1.54 1.645 0 C-N-CA 127.249 2.357 . . . . 0.0 116.434 -174.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 51.2 27.37 3.43 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 125.505 1.522 . . . . 0.0 113.796 -163.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -137.23 -12.17 1.64 Allowed 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 15.3 mt -93.63 27.41 2.67 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.288 1.435 . . . . 0.0 113.499 -175.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 176.63 -45.42 0.11 Allowed Glycine 0 N--CA 1.473 1.135 0 O-C-N 121.099 -1.001 . . . . 0.0 113.425 173.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 13.6 m -90.84 145.13 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 124.788 1.235 . . . . 0.0 110.375 167.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 73.7 m 28.68 71.23 0.06 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 127.922 2.489 . . . . 0.0 115.862 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -60.75 93.37 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.4 1.48 . . . . 0.0 111.966 174.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 51.3 t30 . . . . . 0 C--O 1.251 1.158 0 C-N-CA 125.326 1.451 . . . . 0.0 112.291 -178.9 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.473 0.696 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 57.65 -61.48 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 128.585 2.754 . . . . 0.0 114.99 178.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.9 t -62.2 -42.01 98.89 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.596 1.559 . . . . 0.0 112.267 170.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -69.63 -35.8 75.57 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 121.128 -0.982 . . . . 0.0 112.426 175.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.24 -48.49 75.57 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.728 0.811 . . . . 0.0 111.089 174.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -56.26 -49.41 74.27 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.54 1.536 . . . . 0.0 111.22 172.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.63 -19.17 63.52 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.333 1.235 . . . . 0.0 114.333 172.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -54.77 7.08 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 120.912 1.687 . . . . 0.0 111.533 174.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.2 -37.54 81.01 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.265 -0.897 . . . . 0.0 111.719 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.3 -51.69 68.46 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 117.785 -1.102 . . . . 0.0 110.383 172.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.2 t -55.47 -42.83 74.89 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 120.78 1.627 . . . . 0.0 112.352 173.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.6 t -58.18 -43.59 87.6 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.141 0.882 . . . . 0.0 112.486 177.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.7 t -75.82 -48.1 22.97 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.068 0.947 . . . . 0.0 112.531 176.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.4 HD13 ' HB1' ' A' ' 78' ' ' ALA . 59.9 mt -58.94 -36.5 74.88 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.994 1.717 . . . . 0.0 112.209 178.317 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.17 -16.88 62.55 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.378 1.471 . . . . 0.0 114.26 173.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.3 p -107.58 0.94 22.93 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.194 1.397 . . . . 0.0 112.355 173.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.6 m -89.06 74.53 8.07 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 126.547 1.939 . . . . 0.0 110.963 174.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.2 m -53.15 -29.86 33.7 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.68 94.7 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.167 0.894 . . . . 0.0 113.104 171.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.8 mt -69.68 -46.65 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 124.039 0.936 . . . . 0.0 109.933 175.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.8 m -60.07 -41.18 91.84 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -40.22 75.65 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 117.587 -1.197 . . . . 0.0 113.075 173.241 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.88 -44.15 94.36 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 120.388 1.449 . . . . 0.0 111.411 174.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -72.92 -30.75 64.14 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 176.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.98 -26.28 43.37 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 119.548 1.067 . . . . 0.0 113.008 172.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.3 t -65.73 -42.24 91.26 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.441 1.496 . . . . 0.0 111.855 174.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.8 m -75.94 140.06 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 121.412 0.625 . . . . 0.0 111.601 173.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.0 m -126.6 19.1 7.37 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.301 1.44 . . . . 0.0 112.279 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.9 t -136.68 137.14 39.7 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.538 1.535 . . . . 0.0 110.161 177.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.5 -33.98 70.42 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.217 0.607 . . . . 0.0 112.036 176.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 t -68.68 -39.95 80.35 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.556 0.743 . . . . 0.0 112.155 174.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.91 -45.2 86.89 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.287 -0.883 . . . . 0.0 111.861 175.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.16 -43.35 98.54 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.779 -0.576 . . . . 0.0 112.08 173.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.6 t -57.02 -49.81 74.65 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.198 1.399 . . . . 0.0 111.875 173.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.7 m -63.13 -39.65 95.3 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.472 1.109 . . . . 0.0 113.231 175.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.48 -50.27 65.96 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.405 1.002 . . . . 0.0 110.358 173.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.4 -32.09 73.43 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 120.828 -1.17 . . . . 0.0 113.023 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -61.5 -57.68 11.17 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.757 1.223 . . . . 0.0 110.945 166.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -59.22 -41.33 88.37 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.937 1.295 . . . . 0.0 113.938 -178.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.8 mm -69.5 -38.39 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.413 1.485 . . . . 0.0 110.561 173.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.43 -35.58 66.72 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 125.944 1.735 . . . . 0.0 114.459 169.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -59.51 -48.94 79.71 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 120.444 2.122 . . . . 0.0 111.519 173.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.2 m -68.1 -41.06 82.37 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.717 -0.614 . . . . 0.0 112.028 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.84 -44.83 91.05 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.732 0.696 . . . . 0.0 111.348 173.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.79 -40.04 96.08 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.688 1.195 . . . . 0.0 113.027 175.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -64.55 -45.57 86.55 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.534 1.061 . . . . 0.0 112.412 172.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.2 m -62.26 -23.36 66.65 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.604 1.162 . . . . 0.0 113.643 175.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.9 mt -105.05 5.93 32.9 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.954 1.702 . . . . 0.0 112.85 177.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.31 32.06 63.38 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.972 1.748 . . . . 0.0 115.673 177.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.42 HG22 ' H ' ' A' ' 53' ' ' SER . 38.6 mm -62.27 130.23 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.974 1.31 . . . . 0.0 111.32 -176.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.34 14.51 1.2 Allowed 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 125.893 1.677 . . . . 0.0 115.197 -177.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.42 ' H ' HG22 ' A' ' 51' ' ' ILE . 1.3 m -170.77 62.7 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 128.87 2.868 . . . . 0.0 109.03 -177.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.8 p30 -53.13 -30.42 36.72 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 120.963 -1.086 . . . . 0.0 113.532 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.9 t -59.41 -41.33 89.23 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.997 1.719 . . . . 0.0 113.579 170.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.23 -39.01 55.6 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.234 -0.916 . . . . 0.0 111.648 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -51.8 59.03 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 122.982 0.513 . . . . 0.0 110.933 175.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.42 -38.12 79.81 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.827 0.851 . . . . 0.0 112.141 174.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.98 -46.83 92.73 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 124.175 0.893 . . . . 0.0 113.329 173.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.63 -38.99 93.23 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 118.509 1.155 . . . . 0.0 112.379 174.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.43 -37.71 88.47 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.806 1.242 . . . . 0.0 112.708 172.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.8 91.87 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.375 1.07 . . . . 0.0 111.694 173.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -63.95 -34.47 78.04 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.722 0.809 . . . . 0.0 112.67 173.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.97 -53.26 59.45 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.505 0.722 . . . . 0.0 111.832 175.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.6 t -66.88 -43.98 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.87 0.868 . . . . 0.0 112.455 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.09 -25.19 64.06 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.236 0.922 . . . . 0.0 113.573 174.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.07 -41.1 99.67 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.347 1.451 . . . . 0.0 113.602 174.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.6 t -87.19 -47.53 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-N 117.904 0.852 . . . . 0.0 111.099 173.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.57 163.78 8.81 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 125.765 1.65 . . . . 0.0 114.87 -177.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.09 132.03 52.81 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 121.53 -0.982 . . . . 0.0 113.452 -176.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 136.49 -39.49 1.64 Allowed Glycine 0 CA--C 1.535 1.339 0 C-N-CA 126.128 1.823 . . . . 0.0 113.604 177.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.32 169.81 5.4 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.528 1.131 . . . . 0.0 113.029 171.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 78.8 p -68.28 158.36 33.55 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.198 -0.939 . . . . 0.0 112.45 173.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.46 -29.94 64.64 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.64 -0.663 . . . . 0.0 112.704 170.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.0 t -59.63 -38.36 81.12 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.68 0.792 . . . . 0.0 112.602 172.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.78 -42.93 94.69 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.905 1.229 . . . . 0.0 112.415 176.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -68.67 -43.41 76.23 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.593 0.757 . . . . 0.0 111.668 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.4 ' HB1' HD13 ' A' ' 15' ' ' LEU . . . -56.98 -39.87 75.45 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.802 1.241 . . . . 0.0 111.854 171.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -64.79 -49.5 70.43 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.904 0.774 . . . . 0.0 111.257 173.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.07 -44.03 96.92 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.612 0.642 . . . . 0.0 111.788 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 43.3 mt -60.13 -53.67 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.577 1.551 . . . . 0.0 110.933 173.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.86 -22.94 64.18 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -81.2 -33.98 32.58 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.395 1.078 . . . . 0.0 113.416 167.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.57 -51.82 15.58 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 120.776 1.626 . . . . 0.0 110.924 176.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.48 -44.66 92.98 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.14 0.976 . . . . 0.0 111.346 168.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.75 -48.69 82.54 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-O 118.895 -0.947 . . . . 0.0 113.104 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -62.57 -44.92 95.13 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 119.141 1.47 . . . . 0.0 111.678 174.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -64.76 -48.62 73.86 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.159 0.891 . . . . 0.0 111.872 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.2 mt -69.02 -27.15 65.41 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.542 -1.349 . . . . 0.0 112.526 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.28 -47.21 71.3 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.481 1.037 . . . . 0.0 112.221 168.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 61.9 p -69.06 -30.66 69.04 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.318 0.963 . . . . 0.0 112.815 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -74.9 -8.66 57.12 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 168.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 61.73 21.27 60.53 Favored Glycine 0 CA--C 1.539 1.572 0 O-C-N 121.138 -0.976 . . . . 0.0 114.365 -174.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.5 t -64.83 -35.16 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.706 1.203 . . . . 0.0 110.835 172.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 pp -105.7 151.28 24.62 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.566 1.146 . . . . 0.0 111.531 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -150.87 152.84 34.28 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.062 1.745 . . . . 0.0 108.617 -175.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.93 -19.36 2.53 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 58.7 t -44.92 -48.2 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 127.169 2.187 . . . . 0.0 112.587 167.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -161.25 29.44 0.14 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.332 1.453 . . . . 0.0 113.163 -176.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.34 -41.17 68.77 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 120.763 -1.211 . . . . 0.0 112.67 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.6 p -59.16 -59.89 4.74 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 123.148 0.579 . . . . 0.0 111.647 167.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -36.06 63.93 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -177.091 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 76.1 mt -66.34 -25.8 66.99 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.695 1.198 . . . . 0.0 114.009 173.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.77 -42.32 94.41 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 123.762 0.696 . . . . 0.0 112.059 167.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -33.28 75.3 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 171.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.36 -47.57 72.98 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 119.061 0.846 . . . . 0.0 112.543 176.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.03 -39.36 83.1 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.224 -0.922 . . . . 0.0 112.135 172.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.32 -37.08 85.85 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 119.421 1.009 . . . . 0.0 111.887 175.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -64.52 -34.64 78.71 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.312 0.96 . . . . 0.0 112.552 168.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.05 -47.33 71.65 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 120.317 1.417 . . . . 0.0 112.665 175.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 29.4 mt -65.54 -39.82 92.18 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.253 1.021 . . . . 0.0 111.418 172.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 34.4 t -69.59 -42.97 73.75 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.594 1.158 . . . . 0.0 113.344 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -56.04 -44.96 79.32 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.761 1.164 . . . . 0.0 110.601 173.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.9 t -66.77 -47.66 71.46 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 176.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.68 -35.23 78.46 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.694 1.134 . . . . 0.0 113.361 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.64 -43.73 95.92 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.584 1.154 . . . . 0.0 111.612 170.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -66.02 -33.74 76.5 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.558 -0.714 . . . . 0.0 112.536 171.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.4 t -61.68 -40.74 96.04 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 120.567 -1.333 . . . . 0.0 111.648 174.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.56 -20.74 63.61 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 170.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -78.74 -32.49 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.473 1.109 . . . . 0.0 112.65 172.335 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 75.5 m -69.66 -8.53 48.43 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 75.85 -35.26 1.23 Allowed Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.875 1.703 . . . . 0.0 114.495 176.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -15.22 2.64 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.041 1.337 . . . . 0.0 114.596 171.093 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.25 -28.6 63.09 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.134 1.374 . . . . 0.0 113.127 174.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.33 41.24 0.11 Allowed 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 126.235 1.814 . . . . 0.0 112.347 175.41 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 68.67 35.28 80.21 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 125.66 1.6 . . . . 0.0 114.391 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 29.6 t 50.2 68.69 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 126.431 1.892 . . . . 0.0 111.305 -172.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.0 t -148.03 162.27 39.69 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.461 1.505 . . . . 0.0 111.375 -178.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 58.11 -68.23 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 128.23 2.612 . . . . 0.0 115.303 -175.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 . . . . . 0 C--O 1.256 1.41 0 C-N-CA 127.051 2.14 . . . . 0.0 111.3 -170.557 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -75.16 -51.13 14.16 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.064 0.946 . . . . 0.0 111.762 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.2 p -67.47 -35.13 78.59 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.799 0.839 . . . . 0.0 111.784 176.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 t -67.51 -38.06 83.72 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.363 0.665 . . . . 0.0 111.82 174.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.52 -44.44 82.47 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.446 1.021 . . . . 0.0 111.849 172.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.422 ' CD1' HD21 ' A' ' 95' ' ' LEU . 62.1 t80 -58.56 -49.6 76.85 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 120.994 -1.066 . . . . 0.0 110.238 173.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.1 -29.05 70.49 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-O 117.807 -1.092 . . . . 0.0 113.17 174.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -65.37 -56.22 13.77 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 121.583 1.992 . . . . 0.0 111.477 175.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.65 -41.48 88.19 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.485 0.584 . . . . 0.0 111.618 178.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.81 -52.79 64.01 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 117.684 -1.151 . . . . 0.0 110.58 174.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.3 m -58.9 -35.67 73.42 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 120.669 1.577 . . . . 0.0 113.033 174.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.34 -44.96 92.58 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.492 1.042 . . . . 0.0 111.453 175.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.6 t -73.34 -51.4 17.57 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.731 0.812 . . . . 0.0 112.079 174.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.6 mt -57.96 -36.64 72.84 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.247 2.219 . . . . 0.0 113.19 -178.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.07 -27.01 61.48 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 124.342 1.057 . . . . 0.0 113.104 173.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.7 -28.97 36.52 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.828 1.651 . . . . 0.0 112.413 172.133 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.2 m -70.52 74.77 0.56 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 127.085 2.154 . . . . 0.0 112.453 177.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.3 m -52.63 -31.56 37.39 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.958 0.903 . . . . 0.0 113.202 175.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.32 -39.85 94.39 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.304 0.957 . . . . 0.0 113.187 172.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 64.2 mt -70.27 -46.06 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 124.117 0.967 . . . . 0.0 110.146 175.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.1 t -59.36 -43.37 92.86 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.031 0.532 . . . . 0.0 111.776 175.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -62.61 -43.99 97.43 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 117.752 -1.118 . . . . 0.0 113.183 171.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.44 -43.82 93.04 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 120.413 1.46 . . . . 0.0 111.79 175.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -65.51 -36.14 82.97 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.67 -26.06 50.05 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 174.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.8 t -66.82 -42.69 85.46 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 125.457 1.503 . . . . 0.0 111.867 177.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.8 m -74.85 148.38 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 O-C-N 121.955 -0.466 . . . . 0.0 112.091 171.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.7 p -136.76 19.11 3.05 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.222 1.409 . . . . 0.0 113.015 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.32 137.23 38.73 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.704 2.002 . . . . 0.0 109.747 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.08 -36.69 77.95 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.927 -0.483 . . . . 0.0 112.233 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 m -70.24 -31.3 68.64 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 171.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.64 -40.7 72.92 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 120.427 -1.421 . . . . 0.0 110.672 173.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.9 -42.15 90.58 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.734 0.813 . . . . 0.0 111.623 171.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.8 p -61.59 -41.6 97.66 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 120.938 -1.101 . . . . 0.0 111.066 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.4 t -69.19 -38.96 78.91 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.797 1.239 . . . . 0.0 113.265 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.83 -45.75 91.15 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.538 -1.351 . . . . 0.0 110.586 173.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.05 -27.9 65.02 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.411 0.684 . . . . 0.0 112.121 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -63.46 -53.44 52.11 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 123.721 0.808 . . . . 0.0 110.308 168.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.35 -45.38 84.41 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 120.39 -1.444 . . . . 0.0 113.134 -179.31 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.1 mt -62.43 -43.11 97.91 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 124.745 1.218 . . . . 0.0 110.974 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.18 -39.66 92.47 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 125.091 1.329 . . . . 0.0 113.026 176.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.9 -52.34 65.47 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.534 1.667 . . . . 0.0 110.524 174.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.9 m -64.76 -31.84 73.25 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.18 -48.25 44.65 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.301 -0.874 . . . . 0.0 111.949 172.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.08 -37.35 69.21 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.886 1.274 . . . . 0.0 112.008 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.6 mmm-85 -62.32 -41.75 98.8 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.781 1.632 . . . . 0.0 113.778 170.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.0 m -65.19 -40.52 94.35 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.932 0.787 . . . . 0.0 112.208 173.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 mp -75.35 -23.17 57.16 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.675 0.79 . . . . 0.0 112.679 176.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.5 26.34 23.31 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 125.265 1.412 . . . . 0.0 114.447 176.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.506 HG22 ' H ' ' A' ' 53' ' ' SER . 1.7 mp -59.37 137.24 22.08 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.99 0 C-N-CA 124.764 1.226 . . . . 0.0 110.738 178.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.4 8.52 21.34 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 125.181 1.393 . . . . 0.0 114.11 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.506 ' H ' HG22 ' A' ' 51' ' ' ILE . 34.9 p -152.48 51.74 0.77 Allowed 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.408 1.883 . . . . 0.0 110.196 -173.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -53.97 -37.99 64.54 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.347 -0.846 . . . . 0.0 110.552 -174.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 42.1 p -55.6 -36.45 66.95 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 127.141 2.177 . . . . 0.0 114.187 173.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.21 -40.26 21.94 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.626 1.171 . . . . 0.0 112.218 178.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.39 -58.52 6.81 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.813 0.845 . . . . 0.0 109.298 175.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.07 -35.68 77.59 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.904 1.282 . . . . 0.0 112.226 176.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.89 -42.64 96.84 Favored Glycine 0 CA--C 1.535 1.291 0 CA-C-N 119.078 0.854 . . . . 0.0 112.57 175.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.8 96.46 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.419 1.109 . . . . 0.0 111.675 171.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.436 HD22 HG23 ' A' ' 81' ' ' ILE . 79.7 mt -63.36 -40.72 98.04 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.02 0.827 . . . . 0.0 112.952 174.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.15 -49.7 76.62 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.112 0.965 . . . . 0.0 111.285 174.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -63.37 -37.09 85.93 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.123 0.969 . . . . 0.0 112.143 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.38 -48.89 73.76 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.397 1.079 . . . . 0.0 112.434 176.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 38.9 t -63.08 -41.22 92.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 123.963 0.905 . . . . 0.0 111.64 175.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.66 -20.74 56.93 Favored Glycine 0 CA--C 1.541 1.674 0 C-N-CA 124.346 0.974 . . . . 0.0 113.783 171.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.51 -41.43 96.26 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 125.347 1.451 . . . . 0.0 113.15 176.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.0 t -79.58 -44.22 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 118.07 0.935 . . . . 0.0 110.512 171.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.2 166.36 10.71 Favored Glycine 0 CA--C 1.542 1.777 0 C-N-CA 123.964 0.792 . . . . 0.0 113.649 -175.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.45 155.17 18.89 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -173.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.67 43.62 7.7 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 124.215 0.912 . . . . 0.0 113.322 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -138.13 166.68 23.54 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.456 1.502 . . . . 0.0 112.208 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.3 m -60.57 148.33 38.47 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.742 1.217 . . . . 0.0 112.045 178.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.71 -41.33 70.16 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.581 -0.699 . . . . 0.0 111.793 171.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.9 t -56.52 -36.24 68.98 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.458 1.103 . . . . 0.0 112.969 173.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.65 -46.13 80.36 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 120.411 1.46 . . . . 0.0 112.027 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -68.84 -44.76 72.75 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.578 -0.701 . . . . 0.0 111.483 174.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.74 -38.09 86.66 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.19 1.396 . . . . 0.0 112.031 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -69.95 -46.55 65.02 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.533 1.533 . . . . 0.0 110.614 172.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.69 -43.13 80.2 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 120.061 1.301 . . . . 0.0 112.049 175.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.436 HG23 HD22 ' A' ' 61' ' ' LEU . 53.6 mt -60.41 -51.23 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 125.624 1.57 . . . . 0.0 111.235 170.152 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.16 -27.0 68.78 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 119.389 0.995 . . . . 0.0 113.227 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -77.43 -42.21 36.98 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.699 1.2 . . . . 0.0 112.19 170.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.78 -49.85 42.16 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.557 1.071 . . . . 0.0 111.879 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.87 88.48 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.962 0.905 . . . . 0.0 110.641 167.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -57.05 -46.03 91.86 Favored Glycine 0 CA--C 1.535 1.295 0 CA-C-O 119.014 -0.881 . . . . 0.0 113.076 177.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -62.24 -41.85 98.79 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.167 1.483 . . . . 0.0 111.821 172.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -60.88 -48.34 82.25 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.217 0.607 . . . . 0.0 111.12 175.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.0 mt -73.56 -22.15 60.15 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.003 0.921 . . . . 0.0 112.338 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.27 -52.76 36.85 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.621 -1.3 . . . . 0.0 111.1 167.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.5 t -66.68 -32.3 73.52 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -71.73 -7.88 50.8 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 170.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.92 11.52 69.87 Favored Glycine 0 CA--C 1.539 1.587 0 O-C-N 120.845 -1.159 . . . . 0.0 114.206 -178.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.9 t -69.31 -35.52 67.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 125.443 1.497 . . . . 0.0 110.713 175.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.422 HD21 ' CD1' ' A' ' 7' ' ' PHE . 55.0 mt -72.97 119.25 16.96 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 121.668 0.747 . . . . 0.0 110.986 169.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -148.13 150.37 33.71 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 127.063 2.145 . . . . 0.0 111.033 -175.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.26 -12.47 13.42 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 47.9 t -52.73 -49.66 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.133 1.773 . . . . 0.0 111.309 170.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -169.64 33.67 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.133 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -177.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -50.15 -33.59 19.55 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.774 1.624 . . . . 0.0 112.467 175.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.5 t -63.39 -64.31 0.94 Allowed 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.847 -0.533 . . . . 0.0 110.082 170.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.78 -30.79 69.12 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -174.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.22 -25.07 66.8 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.88 -1.138 . . . . 0.0 113.28 171.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -60.71 -46.71 93.93 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 124.156 0.884 . . . . 0.0 112.194 169.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.2 m -63.16 -37.18 86.22 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 117.934 0.867 . . . . 0.0 112.39 169.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.87 -46.4 90.74 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 119.975 1.261 . . . . 0.0 112.435 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -72.34 -40.89 67.05 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.429 -0.794 . . . . 0.0 111.577 177.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.8 -38.46 81.99 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.168 -0.957 . . . . 0.0 112.512 173.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -67.66 -36.42 80.7 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.875 0.761 . . . . 0.0 111.952 173.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.13 -46.28 88.03 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.287 0.948 . . . . 0.0 111.956 172.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 78.5 mt -65.86 -35.0 79.44 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.548 0.739 . . . . 0.0 111.929 173.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.9 t -63.92 -41.1 97.74 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.422 1.089 . . . . 0.0 112.286 173.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.5 -48.38 77.29 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.476 0.71 . . . . 0.0 110.647 170.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.4 m -65.46 -35.93 82.38 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 176.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -71.11 -45.51 63.51 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.845 1.258 . . . . 0.0 112.333 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.45 92.13 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.758 0.823 . . . . 0.0 110.813 170.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -67.1 -32.34 73.42 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 173.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.61 -41.89 99.25 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 120.641 -1.287 . . . . 0.0 111.888 170.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -76.02 -11.38 59.94 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 174.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.19 -28.49 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 CA-C-N 119.506 1.048 . . . . 0.0 112.303 176.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 17.3 t -121.35 -65.13 1.16 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.862 1.265 . . . . 0.0 112.206 -177.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 51.04 19.27 3.52 Favored Glycine 0 CA--C 1.543 1.843 0 N-CA-C 114.991 0.756 . . . . 0.0 114.991 -174.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 51.39 22.93 1.57 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.743 2.017 . . . . 0.0 115.434 -171.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -117.59 -16.36 10.13 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 -176.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -66.04 11.56 0.08 Allowed 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 126.684 1.994 . . . . 0.0 115.773 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 104.59 -41.73 2.07 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 126.652 2.072 . . . . 0.0 111.914 -172.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 74.6 t 60.36 154.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 127.566 2.347 . . . . 0.0 112.497 -173.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 62.3 m -71.29 65.0 0.4 Allowed 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.276 -1.515 . . . . 0.0 112.275 172.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.78 77.11 1.37 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.26 1.824 . . . . 0.0 109.834 -174.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 . . . . . 0 C--O 1.256 1.417 0 C-N-CA 125.342 1.457 . . . . 0.0 113.364 176.012 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.3 p . . . . . 0 CA--C 1.538 0.502 0 CA-C-O 121.57 0.7 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.496 ' H ' ' CD1' ' A' ' 95' ' ' LEU . 0.1 OUTLIER -128.23 61.32 1.46 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.244 1.018 . . . . 0.0 111.803 -164.317 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.2 t -53.41 -39.16 64.11 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.335 1.054 . . . . 0.0 113.406 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -64.75 -37.2 86.79 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.203 -0.936 . . . . 0.0 112.725 175.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.35 -42.53 79.11 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.194 -0.941 . . . . 0.0 111.513 174.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -55.22 -49.48 71.85 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.958 0.903 . . . . 0.0 110.772 172.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.57 -25.79 68.13 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 117.457 -1.259 . . . . 0.0 113.817 174.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -71.95 -46.57 57.0 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 121.023 1.738 . . . . 0.0 113.297 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.04 -41.38 70.87 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.128 -0.982 . . . . 0.0 111.1 176.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.01 -50.33 73.77 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 118.479 -0.772 . . . . 0.0 111.105 171.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.7 p -62.22 -34.71 77.01 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 120.252 1.387 . . . . 0.0 112.815 176.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 m -57.33 -47.39 81.7 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.907 1.685 . . . . 0.0 112.573 171.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.2 m -72.04 -45.93 58.95 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.7 mt -66.92 -31.26 71.72 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.604 1.161 . . . . 0.0 111.913 -179.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.9 -36.59 78.22 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.915 1.286 . . . . 0.0 113.327 174.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 t -83.52 -3.33 57.54 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 174.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.0 t -105.55 77.6 1.29 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.236 1.414 . . . . 0.0 111.301 -175.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.6 m -53.91 -25.13 18.73 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.312 1.226 . . . . 0.0 114.312 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.75 -32.14 72.37 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.269 1.028 . . . . 0.0 113.468 172.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.69 HD11 ' HA ' ' A' ' 112' ' ' SER . 30.3 mm -70.59 -48.5 58.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.352 1.461 . . . . 0.0 109.749 173.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.5 m -57.52 -39.33 76.3 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 123.498 0.719 . . . . 0.0 111.793 174.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -61.31 -53.11 60.95 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 116.848 -1.548 . . . . 0.0 112.005 168.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.51 -35.96 31.76 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 121.549 1.977 . . . . 0.0 113.733 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.424 ' CE2' HG22 ' A' ' 21' ' ' ILE . 17.1 m-85 -82.97 -36.03 25.44 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 176.081 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.28 -23.85 47.03 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.397 0.999 . . . . 0.0 113.271 176.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.2 m -62.78 -27.5 69.34 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 127.314 2.246 . . . . 0.0 113.376 174.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.5 m -96.34 154.03 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 123.62 0.768 . . . . 0.0 111.109 172.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.4 m -121.26 15.1 11.37 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.936 1.295 . . . . 0.0 112.575 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.7 m -140.34 139.93 35.49 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.916 1.686 . . . . 0.0 110.79 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.73 98.39 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.451 0.701 . . . . 0.0 110.917 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.1 t -65.0 -32.23 73.86 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.013 0.925 . . . . 0.0 112.86 176.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.47 -41.21 76.48 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.954 -1.091 . . . . 0.0 111.801 173.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.93 -41.52 98.04 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.503 0.592 . . . . 0.0 111.185 168.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.0 m -57.05 -46.33 82.51 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.227 1.011 . . . . 0.0 111.489 175.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.2 m -63.7 -44.1 94.66 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 118.903 0.774 . . . . 0.0 112.721 173.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.8 -49.98 74.15 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.69 1.132 . . . . 0.0 111.609 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.453 ' HB1' HD11 ' A' ' 61' ' ' LEU . . . -62.68 -35.91 81.2 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.41 1.484 . . . . 0.0 112.205 177.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -63.15 -50.31 70.91 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.278 1.031 . . . . 0.0 111.46 169.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -58.91 -50.29 74.58 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.653 1.115 . . . . 0.0 112.694 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.9 pt -70.02 -31.42 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 123.324 0.649 . . . . 0.0 112.1 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.18 -36.06 63.95 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 125.746 1.641 . . . . 0.0 113.678 175.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.8 mt -60.55 -43.01 97.7 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.143 1.472 . . . . 0.0 111.397 169.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.5 t -64.26 -43.75 93.9 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 118.401 0.546 . . . . 0.0 111.924 176.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.6 -44.87 93.24 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.553 -0.717 . . . . 0.0 111.964 171.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.64 -42.21 98.16 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.615 1.166 . . . . 0.0 112.901 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.3 mtp85 -61.72 -40.64 95.78 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.006 1.322 . . . . 0.0 112.196 173.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.0 t -64.57 -37.87 89.05 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.742 0.817 . . . . 0.0 112.7 172.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.0 mt -85.8 5.68 31.47 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.849 1.66 . . . . 0.0 113.792 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.07 30.0 69.4 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 125.396 1.474 . . . . 0.0 115.146 177.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.9 mm -61.41 133.33 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.519 1.528 . . . . 0.0 111.427 -174.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.12 11.54 1.8 Allowed 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 115.1 1.518 . . . . 0.0 115.1 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.485 ' HB3' ' HB3' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -175.67 66.43 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 128.532 2.733 . . . . 0.0 108.537 -173.311 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -53.02 -43.4 66.52 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.277 -0.889 . . . . 0.0 110.884 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.7 t -56.0 -38.12 70.05 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.853 1.661 . . . . 0.0 113.759 174.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.485 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -78.29 -40.65 36.24 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.302 0.955 . . . . 0.0 112.172 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.0 tt -61.59 -56.24 21.99 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.177 0.898 . . . . 0.0 109.892 172.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.32 -36.95 79.13 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.686 0.795 . . . . 0.0 112.113 -178.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.52 -43.16 78.61 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.515 1.055 . . . . 0.0 113.508 174.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.68 -36.33 83.48 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 118.546 1.173 . . . . 0.0 112.325 172.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.453 HD11 ' HB1' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -68.49 -40.93 80.71 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.985 1.314 . . . . 0.0 112.349 172.507 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.22 -41.55 79.69 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.908 0.883 . . . . 0.0 112.105 171.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -62.59 -31.43 72.25 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 174.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.81 -42.4 67.1 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.069 0.849 . . . . 0.0 111.971 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 t -60.81 -46.53 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.443 1.097 . . . . 0.0 112.032 171.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.71 -5.29 30.27 Favored Glycine 0 CA--C 1.539 1.549 0 C-N-CA 124.334 0.969 . . . . 0.0 114.403 170.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.44 -34.14 29.65 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.425 1.488 . . . . 0.0 113.698 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 13.7 t -83.46 -50.13 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-N 118.365 1.082 . . . . 0.0 111.432 177.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.95 174.83 18.83 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 125.064 1.316 . . . . 0.0 114.084 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.32 152.89 40.75 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.231 1.013 . . . . 0.0 112.543 -177.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.06 9.79 36.74 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 123.94 0.781 . . . . 0.0 114.918 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.72 165.48 10.32 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.92 1.288 . . . . 0.0 112.423 173.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.3 t -61.65 145.79 51.11 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 122.922 0.489 . . . . 0.0 111.943 178.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.37 -42.25 81.75 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.605 -0.684 . . . . 0.0 112.512 172.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.4 m -66.54 -26.49 67.16 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 173.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.09 -43.27 65.07 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 119.373 0.988 . . . . 0.0 111.58 174.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -64.18 -44.85 90.76 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.798 0.727 . . . . 0.0 111.942 171.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.49 -48.16 79.98 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.235 0.614 . . . . 0.0 111.985 175.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -65.28 -37.52 87.43 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 118.357 -0.83 . . . . 0.0 113.139 173.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.83 94.48 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 120.649 1.568 . . . . 0.0 112.306 176.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 78.2 mt -71.33 -43.02 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 O-C-N 121.116 -0.99 . . . . 0.0 110.555 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.46 -31.61 71.02 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 178.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -70.68 -32.95 70.39 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.679 1.127 . . . . 0.0 111.225 167.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.55 -44.5 64.46 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.82 1.191 . . . . 0.0 111.969 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.43 -45.58 86.91 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.846 -0.534 . . . . 0.0 111.267 169.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.67 -48.64 83.07 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 125.092 1.329 . . . . 0.0 113.487 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -63.24 -37.04 85.67 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.141 1.47 . . . . 0.0 111.005 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -67.65 -50.57 57.2 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.56 0.618 . . . . 0.0 110.404 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.9 mt -66.71 -29.34 69.3 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 120.88 -1.137 . . . . 0.0 112.449 176.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.68 -49.25 66.73 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.349 1.459 . . . . 0.0 112.59 171.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 70.8 p -67.8 -32.53 73.15 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.159 0.89 . . . . 0.0 112.317 178.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -77.76 -7.18 56.2 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 171.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 58.96 22.99 56.26 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.689 1.138 . . . . 0.0 114.355 -175.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 17.6 t -69.03 -41.69 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.137 1.375 . . . . 0.0 110.666 176.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.496 ' CD1' ' H ' ' A' ' 3' ' ' TYR . 4.4 pp -87.89 154.93 20.13 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.542 0.737 . . . . 0.0 111.31 170.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -151.14 148.54 28.4 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.697 1.599 . . . . 0.0 108.712 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -47.1 -20.36 0.16 Allowed 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 176.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 95.8 t -43.12 -48.77 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 127.075 2.15 . . . . 0.0 112.636 164.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -160.62 24.65 0.15 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.474 1.51 . . . . 0.0 113.611 -177.436 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.98 -36.38 67.8 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 120.339 -1.476 . . . . 0.0 113.38 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 p -58.21 -64.35 0.95 Allowed 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 122.65 0.38 . . . . 0.0 111.189 165.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.9 -36.87 60.04 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 -178.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 66.0 mt -65.56 -28.51 69.21 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.012 -1.055 . . . . 0.0 113.125 172.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.0 -48.22 74.8 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 124.515 1.055 . . . . 0.0 112.227 168.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.5 m -63.43 -37.47 87.43 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.024 0.912 . . . . 0.0 113.014 171.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.15 96.72 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 7.9 tt -80.73 -33.64 35.02 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.495 -0.753 . . . . 0.0 112.158 173.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.62 -35.21 70.18 Favored 'General case' 0 C--O 1.222 -0.356 0 O-C-N 121.071 -1.018 . . . . 0.0 111.87 171.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -60.11 -36.74 78.11 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 119.236 0.925 . . . . 0.0 112.986 169.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.37 -51.4 66.03 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.39 0.996 . . . . 0.0 111.006 174.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.0 mt -63.88 -37.47 87.49 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.528 0.731 . . . . 0.0 112.279 177.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.69 ' HA ' HD11 ' A' ' 21' ' ' ILE . 3.5 m -64.23 -46.78 82.31 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.852 1.261 . . . . 0.0 112.95 174.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -62.93 -40.92 99.1 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.969 0.804 . . . . 0.0 111.451 173.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.7 m -67.52 -40.42 85.09 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.59 -43.8 83.91 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.399 -0.813 . . . . 0.0 111.565 171.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.19 -32.19 66.21 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.928 0.891 . . . . 0.0 112.125 171.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.3 -52.72 60.76 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.67 1.188 . . . . 0.0 111.815 176.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.2 t -69.24 -36.98 77.74 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.885 -0.509 . . . . 0.0 111.652 176.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.496 ' HA ' ' CE1' ' A' ' 124' ' ' TYR . . . -59.62 -26.59 65.61 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.368 1.067 . . . . 0.0 113.817 174.164 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.2 -28.22 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.0 0.92 . . . . 0.0 112.858 175.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 75.2 m -75.92 -35.26 59.84 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -174.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.45 -11.8 23.37 Favored Glycine 0 CA--C 1.542 1.754 0 N-CA-C 115.988 1.155 . . . . 0.0 115.988 -177.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -93.17 -17.33 23.85 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 118.67 1.235 . . . . 0.0 112.034 174.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.496 ' CE1' ' HA ' ' A' ' 119' ' ' ALA . 10.8 p90 -55.21 -28.72 55.11 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.874 1.669 . . . . 0.0 114.292 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.12 16.35 9.93 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.888 1.275 . . . . 0.0 114.127 178.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 80.31 23.7 60.45 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.324 0.964 . . . . 0.0 113.891 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 39.7 t 56.95 84.26 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 126.746 2.019 . . . . 0.0 111.74 -172.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.2 p 61.84 158.6 0.05 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 127.124 2.17 . . . . 0.0 114.285 -167.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.4 tm0? -151.45 61.51 0.89 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.797 0.839 . . . . 0.0 111.274 -178.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 . . . . . 0 C--O 1.256 1.407 0 C-N-CA 126.317 1.847 . . . . 0.0 112.4 -178.284 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.1 p . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 46.5 29.76 0.96 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.089 1.356 . . . . 0.0 114.208 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.6 m -55.65 -37.96 68.94 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.715 -1.24 . . . . 0.0 113.025 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 t -65.27 -37.93 88.7 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.03 0.532 . . . . 0.0 112.123 175.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.8 -41.3 68.43 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.493 -0.754 . . . . 0.0 112.219 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -58.25 -51.11 71.13 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.143 0.977 . . . . 0.0 110.397 171.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.85 -22.06 66.92 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 117.855 -1.069 . . . . 0.0 113.778 173.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -74.4 -50.63 17.76 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 121.087 1.767 . . . . 0.0 112.477 174.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.23 84.99 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.154 0.888 . . . . 0.0 111.26 175.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.56 -47.23 86.35 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 118.338 -0.839 . . . . 0.0 111.09 171.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.0 t -57.38 -48.48 78.93 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.934 1.243 . . . . 0.0 111.993 174.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -39.76 88.79 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.536 1.062 . . . . 0.0 112.268 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.4 t -67.5 -55.55 13.08 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.886 0.874 . . . . 0.0 111.797 172.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.4 mt -61.2 -29.66 69.95 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.749 1.62 . . . . 0.0 113.195 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.51 -22.32 61.8 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.152 1.781 . . . . 0.0 113.861 172.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.6 t -103.23 -19.92 14.32 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.349 1.06 . . . . 0.0 112.899 174.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.1 m -66.32 79.46 0.1 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.693 1.997 . . . . 0.0 112.24 173.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.6 t -53.03 -35.77 59.81 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.559 -0.713 . . . . 0.0 112.042 173.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.44 -38.43 71.6 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 120.937 -1.102 . . . . 0.0 113.905 173.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.4 mm -69.11 -46.56 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.452 1.101 . . . . 0.0 109.761 174.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.2 t -59.48 -45.34 91.93 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.096 0.558 . . . . 0.0 112.46 177.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -66.77 -40.95 88.42 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.389 1.076 . . . . 0.0 112.44 175.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.55 -46.44 90.16 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.909 1.232 . . . . 0.0 111.983 173.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -70.43 -29.75 66.43 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 176.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.57 -22.56 40.63 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.388 0.994 . . . . 0.0 112.976 172.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.56 -37.49 84.03 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.191 1.396 . . . . 0.0 112.324 172.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.0 m -85.38 145.96 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 124.015 0.926 . . . . 0.0 111.407 175.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.3 m -121.07 -10.16 9.08 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.665 1.186 . . . . 0.0 113.88 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.0 m -104.31 143.47 32.93 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.946 1.298 . . . . 0.0 110.9 173.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.7 -41.01 89.78 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.428 0.691 . . . . 0.0 112.131 175.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.6 m -66.99 -30.21 70.26 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 171.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.0 -37.0 75.55 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 120.322 1.419 . . . . 0.0 112.006 174.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.28 -43.62 92.51 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.744 -0.597 . . . . 0.0 111.227 165.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -41.76 98.26 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 118.577 -0.725 . . . . 0.0 112.28 175.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.8 m -62.29 -43.41 98.9 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.935 1.294 . . . . 0.0 113.211 175.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -50.62 62.14 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.908 0.776 . . . . 0.0 110.108 175.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.34 -38.33 90.66 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.205 0.602 . . . . 0.0 110.627 -175.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -58.24 -56.41 22.39 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.404 1.481 . . . . 0.0 111.352 170.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -57.48 -40.23 78.13 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.449 HG23 ' HB2' ' A' ' 114' ' ' SER . 8.8 mt -68.06 -39.67 81.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 125.251 1.421 . . . . 0.0 111.638 172.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.91 -37.21 77.13 Favored Glycine 0 C--O 1.223 -0.551 0 C-N-CA 126.925 2.202 . . . . 0.0 113.363 174.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -57.91 -36.61 72.7 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.188 1.494 . . . . 0.0 112.297 171.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.5 t -70.65 -47.4 60.21 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 119.247 0.931 . . . . 0.0 111.771 177.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.32 -48.8 78.02 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.908 -0.495 . . . . 0.0 110.869 172.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.89 -45.52 86.31 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.216 1.406 . . . . 0.0 112.888 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -60.26 -47.57 85.44 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.498 1.119 . . . . 0.0 112.353 173.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 57.8 m -64.64 -25.29 67.89 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 176.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.3 mt -96.27 2.57 53.0 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.934 1.694 . . . . 0.0 112.75 176.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.61 32.11 64.6 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 125.563 1.554 . . . . 0.0 115.002 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.507 HG22 ' H ' ' A' ' 53' ' ' SER . 42.7 mm -59.62 129.42 21.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 124.862 1.265 . . . . 0.0 111.068 -177.059 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.83 8.43 4.6 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.099 1.36 . . . . 0.0 114.392 -178.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.507 ' H ' HG22 ' A' ' 51' ' ' ILE . 50.0 p -163.31 52.98 0.17 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 127.748 2.419 . . . . 0.0 109.867 -170.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.04 -35.58 47.6 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.983 -1.073 . . . . 0.0 112.08 -176.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.5 p -63.12 -36.64 84.27 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.854 2.062 . . . . 0.0 113.568 173.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.81 -39.47 43.66 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.297 1.039 . . . . 0.0 112.155 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -68.35 -48.82 63.81 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.536 1.062 . . . . 0.0 110.809 175.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.33 86.19 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.753 -0.592 . . . . 0.0 111.764 173.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.38 -47.2 86.88 Favored Glycine 0 CA--C 1.534 1.255 0 O-C-N 121.394 -0.816 . . . . 0.0 113.406 174.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.0 -41.44 97.49 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.42 -1.047 . . . . 0.0 112.41 177.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.484 HD13 HD12 ' A' ' 81' ' ' ILE . 0.4 OUTLIER -69.3 -35.05 75.61 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.437 -0.789 . . . . 0.0 111.903 174.342 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.03 91.65 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.257 -0.902 . . . . 0.0 111.263 174.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -63.99 -31.89 73.24 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 171.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.13 -48.6 73.0 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.144 0.884 . . . . 0.0 111.5 175.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.89 -40.04 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.42 0.688 . . . . 0.0 112.171 175.214 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.13 -18.72 65.22 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.766 1.174 . . . . 0.0 113.591 173.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.09 -42.18 92.12 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.172 1.368 . . . . 0.0 113.343 176.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.5 t -79.17 -47.22 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 117.852 0.826 . . . . 0.0 111.04 174.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.47 155.15 10.94 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 124.984 1.278 . . . . 0.0 114.678 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.94 140.4 58.84 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -173.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.27 -37.4 2.88 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 127.063 2.268 . . . . 0.0 113.938 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.78 176.84 0.83 Allowed 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 125.69 1.596 . . . . 0.0 114.113 171.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.1 t -67.66 147.54 52.55 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.054 -1.029 . . . . 0.0 112.578 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.05 -35.78 67.3 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.542 0.737 . . . . 0.0 112.986 171.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.2 m -62.69 -25.1 67.99 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 175.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.47 -39.58 64.8 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.902 1.228 . . . . 0.0 111.748 174.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.1 m-30 -68.72 -49.0 62.41 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.26 1.024 . . . . 0.0 111.129 175.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.4 -34.21 74.97 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.494 1.118 . . . . 0.0 112.0 176.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -60.2 -46.65 89.02 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.992 0.815 . . . . 0.0 112.062 166.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.82 -35.39 78.07 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.885 0.766 . . . . 0.0 112.218 177.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.484 HD12 HD13 ' A' ' 61' ' ' LEU . 3.0 mm -73.82 -43.44 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 118.877 0.762 . . . . 0.0 111.143 175.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.39 -32.78 73.64 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.992 0.917 . . . . 0.0 112.527 175.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -72.86 -44.84 60.88 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.413 1.485 . . . . 0.0 112.863 169.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.18 -43.12 82.99 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 120.212 1.369 . . . . 0.0 112.476 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.43 -42.88 70.97 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.588 0.755 . . . . 0.0 111.755 172.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.58 -50.38 67.65 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 124.235 0.922 . . . . 0.0 112.856 176.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -35.3 74.08 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 118.485 1.142 . . . . 0.0 111.747 175.296 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -64.18 -48.22 76.78 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.613 0.765 . . . . 0.0 111.117 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 48.8 mt -74.9 -31.3 61.53 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.816 0.846 . . . . 0.0 111.346 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.91 -49.15 71.56 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.971 1.309 . . . . 0.0 112.764 171.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.6 t -65.4 -32.69 74.45 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 119.028 0.831 . . . . 0.0 112.05 176.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -74.43 -7.18 52.09 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 171.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 61.08 19.24 56.65 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.544 1.068 . . . . 0.0 114.426 -175.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.7 t -67.15 -24.98 32.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.372 1.469 . . . . 0.0 111.129 171.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 28.6 mt -94.23 124.48 38.27 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.745 1.218 . . . . 0.0 111.061 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -133.36 152.32 51.91 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.821 1.648 . . . . 0.0 110.114 -175.316 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.24 -17.93 5.29 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.676 1.362 . . . . 0.0 114.676 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 48.2 t -45.53 -52.24 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 127.184 2.193 . . . . 0.0 111.948 171.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -170.61 27.36 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.559 1.544 . . . . 0.0 113.851 -177.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -50.81 -37.33 42.05 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 120.338 -1.477 . . . . 0.0 113.12 175.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.27 -64.41 0.84 Allowed 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 123.829 0.851 . . . . 0.0 110.268 170.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.1 m -63.25 -30.62 71.73 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -178.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 73.6 mt -62.99 -25.63 68.47 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.085 -1.009 . . . . 0.0 112.464 171.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.27 -38.78 91.24 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 123.707 0.67 . . . . 0.0 113.025 169.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.6 t -60.43 -37.71 81.76 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 122.229 -0.571 . . . . 0.0 111.802 172.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.38 -38.74 84.86 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.724 1.147 . . . . 0.0 112.816 176.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -68.59 -47.97 65.38 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.526 0.603 . . . . 0.0 111.312 174.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.86 -35.09 77.27 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 175.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -66.57 -38.65 87.53 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.106 0.962 . . . . 0.0 111.184 171.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.14 -47.88 82.6 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 118.971 0.805 . . . . 0.0 111.647 172.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 82.2 mt -59.0 -42.33 89.8 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.687 -0.633 . . . . 0.0 111.206 172.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.7 t -63.56 -43.82 95.93 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.543 1.137 . . . . 0.0 112.277 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -54.72 -51.47 65.49 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.818 0.847 . . . . 0.0 110.735 170.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.449 ' HB2' HG23 ' A' ' 41' ' ' ILE . 4.7 m -68.1 -34.28 76.1 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -74.91 -40.29 60.96 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 124.585 1.154 . . . . 0.0 112.153 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.98 -41.75 97.05 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.366 0.667 . . . . 0.0 110.954 168.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -69.36 -32.16 71.05 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 121.52 -0.737 . . . . 0.0 112.899 174.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.2 m -62.7 -34.47 77.21 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 120.084 -1.635 . . . . 0.0 112.392 171.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -76.22 -13.17 60.18 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 171.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.79 -29.04 45.04 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-N 119.406 1.003 . . . . 0.0 113.064 178.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 74.2 m -140.56 -65.65 0.45 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.599 1.16 . . . . 0.0 112.198 -174.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 55.57 9.65 2.61 Favored Glycine 0 CA--C 1.541 1.709 0 C-N-CA 126.011 1.767 . . . . 0.0 116.76 -177.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 74.34 -3.06 2.64 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 127.786 2.434 . . . . 0.0 114.333 -165.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -90.43 -39.05 12.88 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.058 1.343 . . . . 0.0 112.173 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -130.01 16.52 5.68 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.758 1.623 . . . . 0.0 112.034 -176.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -62.54 -17.85 57.79 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 125.079 1.323 . . . . 0.0 115.553 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.6 t -120.29 52.15 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.883 1.673 . . . . 0.0 109.425 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.5 t -152.87 155.68 37.54 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.117 1.367 . . . . 0.0 111.802 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -160.74 82.67 0.66 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.732 0.813 . . . . 0.0 112.374 -177.193 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 . . . . . 0 C--O 1.256 1.428 0 C-N-CA 126.625 1.97 . . . . 0.0 112.138 178.007 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 p . . . . . 0 CA--C 1.547 0.852 0 CA-C-O 122.253 1.025 . . . . 0.0 113.681 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -122.11 -171.98 2.36 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 127.786 2.434 . . . . 0.0 110.994 -173.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.8 t -55.3 -33.43 63.26 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 120.216 -1.553 . . . . 0.0 113.077 173.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -67.03 -32.83 74.31 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.831 -1.168 . . . . 0.0 113.232 171.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.99 -45.49 70.47 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 121.369 -0.832 . . . . 0.0 111.067 174.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.429 ' CD2' ' HA2' ' A' ' 104' ' ' GLY . 14.5 t80 -50.2 -52.43 35.74 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.084 0.554 . . . . 0.0 110.438 168.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.29 -23.8 67.58 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -68.29 -54.41 17.73 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 120.632 1.56 . . . . 0.0 112.527 174.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.0 -39.55 79.24 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.764 -0.585 . . . . 0.0 111.749 176.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.76 94.28 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 117.972 -1.014 . . . . 0.0 111.97 174.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 m -56.85 -47.39 80.47 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.988 1.267 . . . . 0.0 112.151 172.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.6 t -64.2 -45.82 86.64 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.453 1.024 . . . . 0.0 112.135 178.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.3 t -62.58 -49.56 74.78 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.598 1.159 . . . . 0.0 113.013 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.414 HD22 ' HB1' ' A' ' 78' ' ' ALA . 0.8 OUTLIER -68.38 -36.73 79.59 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.249 1.02 . . . . 0.0 111.959 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.51 -31.1 71.62 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 118.898 0.772 . . . . 0.0 112.26 174.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.23 -22.53 66.33 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.019 1.327 . . . . 0.0 113.079 167.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.2 t -100.53 79.76 2.14 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.02 1.328 . . . . 0.0 111.726 -177.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.4 t -55.63 -26.8 46.18 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.993 -1.067 . . . . 0.0 113.198 176.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.06 -34.85 72.43 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.043 -1.036 . . . . 0.0 113.759 171.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 51.3 mt -64.11 -48.03 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 119.04 0.836 . . . . 0.0 110.428 171.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.1 t -59.98 -47.81 84.3 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.594 -0.691 . . . . 0.0 112.597 176.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -61.56 -39.31 90.65 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 118.007 -0.997 . . . . 0.0 112.65 175.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.07 -45.7 79.24 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.804 1.184 . . . . 0.0 112.356 173.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -73.02 -32.06 64.87 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 177.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.97 -26.79 61.49 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 172.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.0 t -71.16 -42.49 69.04 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.671 1.189 . . . . 0.0 112.79 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.8 m -70.07 135.94 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 123.718 0.807 . . . . 0.0 110.815 172.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.3 p -121.31 16.71 11.44 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.523 1.529 . . . . 0.0 112.435 -178.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 t -139.14 138.26 36.84 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 127.244 2.218 . . . . 0.0 108.583 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.26 -38.45 83.56 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 119.34 -0.362 . . . . 0.0 110.79 174.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -42.71 99.57 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.835 0.854 . . . . 0.0 112.63 172.087 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.96 97.71 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.036 0.834 . . . . 0.0 111.896 176.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.84 -49.57 75.76 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.347 0.659 . . . . 0.0 111.773 172.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.6 m -55.5 -46.84 76.91 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 124.902 1.281 . . . . 0.0 111.722 176.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.6 m -72.02 -34.05 68.53 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 178.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.21 -52.35 65.18 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.062 -1.024 . . . . 0.0 109.577 169.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.565 ' HB1' HD11 ' A' ' 61' ' ' LEU . . . -66.47 -27.51 67.85 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.327 0.651 . . . . 0.0 112.52 178.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -62.94 -49.55 74.31 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.887 1.275 . . . . 0.0 111.171 167.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -61.34 -47.87 83.9 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 120.279 1.4 . . . . 0.0 112.747 175.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.6 mt -57.3 -44.79 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.318 1.047 . . . . 0.0 111.134 174.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.51 -37.98 69.04 Favored Glycine 0 C--O 1.222 -0.61 0 C-N-CA 126.035 1.779 . . . . 0.0 114.193 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.7 mt -62.66 -45.5 92.52 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.143 1.471 . . . . 0.0 110.955 172.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 t -64.74 -46.41 82.34 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.847 0.459 . . . . 0.0 111.736 176.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.46 -47.92 82.43 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.652 -0.655 . . . . 0.0 111.757 172.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.86 97.81 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.619 1.168 . . . . 0.0 113.405 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -62.18 -41.43 98.32 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.564 0.746 . . . . 0.0 112.546 172.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.8 m -65.86 -37.69 86.85 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.2 mt -79.44 -14.18 59.09 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.424 1.49 . . . . 0.0 113.41 176.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.08 29.49 45.93 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 125.217 1.389 . . . . 0.0 114.681 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 31.6 mm -65.5 130.84 31.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.537 1.535 . . . . 0.0 110.876 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.73 14.84 0.58 Allowed 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -177.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.46 ' HB3' ' HB3' ' A' ' 56' ' ' ALA . 0.5 OUTLIER -174.17 63.78 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 128.544 2.737 . . . . 0.0 108.506 -175.122 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 48.4 p-10 -49.03 -44.3 41.33 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.298 -0.877 . . . . 0.0 112.471 173.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 t -53.93 -38.99 65.46 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.446 1.498 . . . . 0.0 113.836 172.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.46 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -78.48 -41.5 32.41 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.223 -0.923 . . . . 0.0 112.475 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.435 HD23 ' C ' ' A' ' 57' ' ' LEU . 7.1 tt -59.9 -56.49 21.15 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.339 0.972 . . . . 0.0 109.721 171.362 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.65 -38.65 81.98 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.892 0.877 . . . . 0.0 111.6 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.17 -43.53 80.12 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 124.552 1.072 . . . . 0.0 113.445 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.86 97.8 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 118.765 1.282 . . . . 0.0 112.263 174.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.565 HD11 ' HB1' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -67.33 -41.58 85.04 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.739 1.216 . . . . 0.0 111.619 173.482 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.73 90.16 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.165 0.986 . . . . 0.0 111.408 173.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -59.04 -36.89 75.79 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.936 0.894 . . . . 0.0 112.627 173.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.96 -49.04 71.87 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.319 0.648 . . . . 0.0 111.763 173.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.7 t -57.29 -46.46 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.906 1.282 . . . . 0.0 112.261 175.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.66 -13.5 51.49 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.43 1.014 . . . . 0.0 114.787 171.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.29 -35.96 77.86 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 125.648 1.594 . . . . 0.0 113.645 177.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.1 t -76.6 -48.88 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-N 117.933 0.867 . . . . 0.0 111.05 173.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.92 166.3 42.06 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 124.713 1.149 . . . . 0.0 114.173 -177.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.38 148.46 37.15 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.473 1.109 . . . . 0.0 113.778 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.7 54.95 6.24 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 123.696 0.665 . . . . 0.0 113.068 177.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.35 171.62 14.01 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.407 1.483 . . . . 0.0 112.228 -177.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.3 t -63.2 146.47 53.3 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.429 0.691 . . . . 0.0 112.06 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.63 -39.98 86.1 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.707 -0.62 . . . . 0.0 111.979 171.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.5 m -61.64 -33.16 73.45 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-O 117.633 -1.175 . . . . 0.0 112.635 172.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.11 -49.4 67.66 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 121.258 1.845 . . . . 0.0 111.948 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -59.1 -47.21 86.08 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.031 0.532 . . . . 0.0 112.185 173.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.414 ' HB1' HD22 ' A' ' 15' ' ' LEU . . . -69.59 -27.8 65.41 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 178.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -62.23 -47.7 83.25 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.376 1.071 . . . . 0.0 109.559 169.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.15 -38.08 85.14 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.583 0.629 . . . . 0.0 112.122 176.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 80.9 mt -68.49 -48.68 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.045 0.938 . . . . 0.0 111.939 174.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.08 -37.48 87.66 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.921 0.888 . . . . 0.0 112.057 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -67.68 -40.3 84.43 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.849 1.26 . . . . 0.0 112.659 170.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.8 -47.78 61.55 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 120.356 1.434 . . . . 0.0 111.943 177.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.7 92.39 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 121.289 -0.882 . . . . 0.0 111.472 173.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.15 -51.95 53.21 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.462 1.029 . . . . 0.0 113.612 172.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -61.8 -36.47 81.22 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.513 1.657 . . . . 0.0 111.695 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -64.5 -47.22 79.72 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.33 0.652 . . . . 0.0 110.68 176.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.2 mt -69.5 -23.26 63.6 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 120.95 -1.094 . . . . 0.0 113.733 174.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.32 -47.85 63.24 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.461 1.028 . . . . 0.0 111.323 171.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 65.0 p -70.13 -29.9 66.94 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.597 0.759 . . . . 0.0 113.0 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -76.4 -5.91 49.36 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 168.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 62.54 24.89 66.49 Favored Glycine 0 CA--C 1.538 1.53 0 CA-C-N 119.509 1.05 . . . . 0.0 114.276 -177.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.1 t -79.02 -27.63 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.299 1.44 . . . . 0.0 111.474 174.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 95.3 mt -77.91 110.55 12.91 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.523 -0.735 . . . . 0.0 110.853 174.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -133.5 164.08 27.95 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.684 1.594 . . . . 0.0 111.214 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.18 -14.16 6.44 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 168.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 41.3 t -52.28 -49.75 40.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.916 1.687 . . . . 0.0 111.421 172.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 173.0 45.6 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.862 2.065 . . . . 0.0 113.641 -175.041 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.94 -33.4 66.97 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 119.373 -2.08 . . . . 0.0 114.609 177.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.1 t -68.58 -60.23 2.57 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.81 0.732 . . . . 0.0 111.083 167.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.42 -35.35 73.83 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 -175.29 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.28 -28.81 66.61 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.05 -1.031 . . . . 0.0 112.712 171.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.429 ' HA2' ' CD2' ' A' ' 7' ' ' PHE . . . -61.46 -35.06 90.49 Favored Glycine 0 CA--C 1.524 0.618 0 O-C-N 121.604 -0.685 . . . . 0.0 112.438 172.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.6 -39.47 91.33 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 117.463 0.632 . . . . 0.0 112.474 167.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.44 -43.6 96.92 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.509 1.049 . . . . 0.0 112.701 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.6 tt -70.17 -40.52 74.64 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.591 -0.693 . . . . 0.0 111.67 173.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.26 -36.15 77.12 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 120.707 -1.246 . . . . 0.0 112.861 173.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -67.37 -32.01 72.64 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 118.39 -0.814 . . . . 0.0 112.64 169.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.8 -43.4 88.83 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 120.143 1.338 . . . . 0.0 112.161 170.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 67.5 mt -66.73 -39.98 88.18 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.426 -0.796 . . . . 0.0 111.737 174.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.1 t -62.68 -42.63 99.73 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.604 1.162 . . . . 0.0 112.193 172.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -56.42 -52.38 64.87 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 118.6 -0.714 . . . . 0.0 110.477 170.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.2 m -62.85 -38.95 92.84 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 119.372 0.987 . . . . 0.0 113.519 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -71.73 -45.4 61.87 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.5 1.12 . . . . 0.0 112.683 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.58 -39.18 88.32 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.786 0.835 . . . . 0.0 111.534 173.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -62.69 -27.86 69.54 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.478 1.111 . . . . 0.0 112.707 168.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.07 -30.33 67.98 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 120.299 1.409 . . . . 0.0 111.841 177.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.83 -13.97 39.99 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 170.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 49.1 t -59.45 -44.95 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.853 1.206 . . . . 0.0 111.342 171.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 63.0 m -66.24 -25.83 67.08 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 177.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 50.33 44.26 44.29 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 124.911 1.243 . . . . 0.0 113.048 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -153.07 -36.46 0.11 Allowed 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.595 -0.944 . . . . 0.0 112.933 -173.202 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.03 -31.01 64.72 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.942 0.897 . . . . 0.0 113.053 173.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -80.98 26.1 0.44 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.911 1.684 . . . . 0.0 113.338 176.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 90.09 -48.84 3.24 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 126.125 1.821 . . . . 0.0 112.578 -176.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 4.5 p -163.78 164.66 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 125.586 1.554 . . . . 0.0 111.735 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.0 110.14 2.37 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.447 1.099 . . . . 0.0 111.963 177.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -157.5 59.01 0.5 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.284 1.034 . . . . 0.0 112.649 177.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 125.516 1.526 . . . . 0.0 112.369 172.589 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.427 ' HB3' ' HB3' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -164.52 62.26 0.14 Allowed 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.45 -0.781 . . . . 0.0 112.003 -176.794 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.8 p -55.95 -34.99 66.19 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.519 -1.363 . . . . 0.0 113.091 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 m -63.81 -45.15 90.96 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.138 0.975 . . . . 0.0 112.635 174.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.427 ' HB3' ' HB3' ' A' ' 3' ' ' TYR . . . -72.37 -41.01 66.85 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.337 0.655 . . . . 0.0 111.74 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -56.83 -49.49 75.24 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.401 1.08 . . . . 0.0 110.412 171.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.28 -25.56 66.92 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 117.797 -1.097 . . . . 0.0 113.619 173.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -67.73 -52.34 38.65 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 121.204 1.82 . . . . 0.0 111.967 172.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.05 -41.39 82.12 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.36 0.982 . . . . 0.0 111.922 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.56 -51.56 68.89 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 118.427 -0.797 . . . . 0.0 110.755 175.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.3 t -57.55 -40.61 79.26 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.683 1.129 . . . . 0.0 112.182 173.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.5 t -56.65 -48.55 77.31 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.623 1.102 . . . . 0.0 111.863 176.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.1 m -72.05 -45.07 62.18 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 175.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.5 mt -62.62 -39.94 95.42 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.816 1.646 . . . . 0.0 112.359 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.11 -32.0 71.99 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.012 1.325 . . . . 0.0 112.735 173.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.65 -28.85 58.91 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.192 1.397 . . . . 0.0 112.309 170.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.3 t -86.17 77.76 9.51 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 125.461 1.504 . . . . 0.0 111.301 -174.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.2 m -53.34 -26.01 17.4 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.096 0.958 . . . . 0.0 113.572 176.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.1 -30.95 69.6 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 171.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.6 mm -76.61 -52.06 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.157 1.383 . . . . 0.0 110.054 173.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.7 m -56.82 -43.3 80.88 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.075 0.95 . . . . 0.0 112.068 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -36.13 72.22 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-O 117.76 -1.114 . . . . 0.0 112.336 175.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.67 -37.77 87.72 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.09 1.314 . . . . 0.0 111.595 175.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -68.03 -49.71 59.83 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.89 -0.506 . . . . 0.0 112.338 168.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.04 -18.49 63.4 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 120.143 1.338 . . . . 0.0 114.144 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 t -63.27 -23.43 67.42 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.051 1.74 . . . . 0.0 113.195 171.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.513 HG21 ' HB2' ' A' ' 34' ' ' ALA . 1.3 m -89.54 162.12 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 123.849 0.859 . . . . 0.0 112.001 177.041 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 m -124.03 4.16 8.65 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.938 1.295 . . . . 0.0 113.677 173.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 t -148.09 148.89 31.13 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.249 1.02 . . . . 0.0 111.96 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.23 -28.35 69.3 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.943 -0.473 . . . . 0.0 111.649 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -30.05 70.91 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 126.33 1.852 . . . . 0.0 113.19 172.223 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.11 -41.6 20.28 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.255 -0.903 . . . . 0.0 111.252 176.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.513 ' HB2' HG21 ' A' ' 28' ' ' VAL . . . -64.69 -38.92 92.65 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.558 170.075 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.9 p -65.14 -42.14 94.13 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 120.065 1.302 . . . . 0.0 110.844 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.7 t -61.45 -41.62 97.49 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.649 0.78 . . . . 0.0 112.592 171.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 mt -63.25 -52.85 60.43 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.239 0.927 . . . . 0.0 111.935 174.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.92 -34.08 69.48 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.404 1.482 . . . . 0.0 112.221 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -66.86 -53.85 28.28 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.951 0.901 . . . . 0.0 110.993 169.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -58.94 -47.94 83.26 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.473 1.509 . . . . 0.0 113.452 -177.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 pt -71.99 -25.78 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.721 1.208 . . . . 0.0 111.526 172.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.04 -41.78 99.57 Favored Glycine 0 C--N 1.335 0.528 0 C-N-CA 126.277 1.894 . . . . 0.0 112.687 172.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -57.87 -48.33 80.15 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 119.344 1.572 . . . . 0.0 110.887 169.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.3 m -62.69 -41.48 99.13 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.504 1.047 . . . . 0.0 113.118 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.61 -46.7 75.03 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.456 -0.777 . . . . 0.0 111.646 175.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.98 92.53 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.772 1.229 . . . . 0.0 112.138 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -62.53 -46.97 85.94 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.075 1.35 . . . . 0.0 112.257 172.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.3 m -61.17 -30.29 70.31 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.8 mt -95.97 6.71 48.23 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.526 1.531 . . . . 0.0 113.187 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 54.48 34.1 54.58 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 125.988 1.756 . . . . 0.0 115.355 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.429 HG22 ' H ' ' A' ' 53' ' ' SER . 50.3 mm -60.04 136.72 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 125.326 1.45 . . . . 0.0 111.233 -177.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.27 14.88 3.23 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.025 1.33 . . . . 0.0 114.167 -177.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.429 ' H ' HG22 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -170.93 58.86 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 127.384 2.273 . . . . 0.0 109.466 -173.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -52.79 -35.71 57.08 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 120.908 -1.12 . . . . 0.0 111.789 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.1 t -55.81 -44.96 78.34 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.927 1.691 . . . . 0.0 113.684 172.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.85 -40.54 63.21 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.319 -0.863 . . . . 0.0 111.537 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.49 -42.35 68.18 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 118.679 -0.677 . . . . 0.0 111.694 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.01 -41.21 67.73 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.806 1.243 . . . . 0.0 111.806 168.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -63.99 -34.06 88.93 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 124.768 1.175 . . . . 0.0 114.017 172.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.81 -45.56 89.07 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.268 1.534 . . . . 0.0 111.942 175.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -37.81 78.16 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.438 -0.789 . . . . 0.0 110.466 177.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.57 -43.0 99.66 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.886 0.875 . . . . 0.0 113.024 174.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -64.36 -37.0 85.97 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.947 1.299 . . . . 0.0 112.772 173.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.44 -52.52 45.54 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.803 0.841 . . . . 0.0 112.391 177.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.8 t -58.99 -48.61 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 C-N-CA 126.076 1.75 . . . . 0.0 111.813 175.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.85 -5.61 47.17 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.912 1.244 . . . . 0.0 114.279 173.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.44 -42.5 4.23 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 125.78 1.657 . . . . 0.0 112.351 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.1 t -72.16 -49.56 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 117.914 0.857 . . . . 0.0 111.489 172.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.55 166.99 28.6 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.683 1.135 . . . . 0.0 114.362 -177.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.91 157.76 31.15 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -176.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.75 -1.74 36.37 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.855 1.216 . . . . 0.0 114.371 -173.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.96 164.38 20.07 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.885 1.274 . . . . 0.0 112.454 173.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.9 t -66.64 148.91 51.25 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.02 0.528 . . . . 0.0 112.175 177.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.7 -28.44 68.64 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 170.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.9 m -66.11 -36.39 83.04 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.307 0.958 . . . . 0.0 112.387 171.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.48 -42.79 78.2 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.668 0.667 . . . . 0.0 111.433 174.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -63.45 -47.42 81.93 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.708 0.686 . . . . 0.0 112.537 171.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.12 -47.06 84.43 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.887 0.875 . . . . 0.0 111.664 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -62.74 -46.7 86.85 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 119.459 1.027 . . . . 0.0 111.959 172.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.09 -50.77 72.33 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 120.072 1.306 . . . . 0.0 111.107 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 75.8 mt -65.45 -46.16 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 124.404 1.081 . . . . 0.0 110.715 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.3 -26.99 66.8 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.255 0.934 . . . . 0.0 113.247 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -76.05 -39.0 56.47 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.373 1.069 . . . . 0.0 112.182 168.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.76 -50.46 35.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 121.037 1.744 . . . . 0.0 111.423 176.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.13 -43.81 92.02 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.836 1.254 . . . . 0.0 111.97 170.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -66.07 -44.46 91.31 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-O 118.989 -0.895 . . . . 0.0 113.007 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -62.5 -39.9 94.99 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.246 1.523 . . . . 0.0 111.715 171.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -64.06 -50.91 66.5 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.032 0.833 . . . . 0.0 111.047 177.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.6 mt -67.46 -29.09 68.45 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 120.468 -1.395 . . . . 0.0 112.767 177.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.33 -48.27 78.69 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.997 0.919 . . . . 0.0 112.398 169.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.1 p -69.65 -29.11 66.51 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.108 0.867 . . . . 0.0 113.035 176.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -72.23 -8.15 53.21 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 168.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 63.59 17.02 59.54 Favored Glycine 0 CA--C 1.538 1.477 0 O-C-N 121.029 -1.045 . . . . 0.0 114.119 -174.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.3 t -67.96 -27.61 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.935 1.294 . . . . 0.0 110.866 171.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.4 mt -92.17 133.08 36.12 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.223 1.009 . . . . 0.0 111.097 176.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -141.89 153.1 44.18 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.996 1.718 . . . . 0.0 109.775 -177.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.5 -14.04 7.0 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 174.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 49.6 t -48.67 -52.77 8.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 126.711 2.004 . . . . 0.0 111.938 170.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -172.66 30.0 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.552 1.541 . . . . 0.0 113.958 -176.348 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -50.68 -35.32 30.35 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.31 -1.494 . . . . 0.0 113.402 174.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.3 t -54.93 -64.01 0.97 Allowed 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 122.905 0.482 . . . . 0.0 110.928 170.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 44.2 m -60.32 -31.98 70.8 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 81.3 mt -62.96 -25.72 68.49 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.474 1.033 . . . . 0.0 112.885 171.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.07 -44.01 94.89 Favored Glycine 0 N--CA 1.466 0.694 0 C-N-CA 124.067 0.841 . . . . 0.0 112.986 169.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -36.35 82.54 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 172.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.84 98.75 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 119.042 0.837 . . . . 0.0 112.632 176.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.1 tt -70.8 -35.79 72.69 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.32 -0.863 . . . . 0.0 112.962 173.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.03 -36.26 83.81 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.139 -0.976 . . . . 0.0 112.687 173.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -64.54 -36.44 84.23 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.652 0.66 . . . . 0.0 111.459 169.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.77 -52.89 63.16 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.612 0.642 . . . . 0.0 111.243 172.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 68.1 mt -59.16 -35.64 73.88 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.132 0.878 . . . . 0.0 112.903 173.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.3 t -59.26 -49.73 76.7 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.099 0.96 . . . . 0.0 111.939 172.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -42.13 93.38 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 122.979 0.512 . . . . 0.0 112.23 171.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.1 m -65.73 -42.6 90.81 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -75.26 -34.72 61.4 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.163 0.985 . . . . 0.0 112.671 176.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.81 -38.05 89.67 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.377 -0.827 . . . . 0.0 111.135 168.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -64.13 -27.1 68.85 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.688 1.195 . . . . 0.0 113.211 170.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.7 m -56.06 -32.08 63.75 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 121.318 1.872 . . . . 0.0 112.581 173.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.14 -12.12 36.89 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 172.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 45.5 t -61.29 -44.06 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 CA-C-N 119.91 1.232 . . . . 0.0 111.447 170.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 50.7 m -66.71 -24.85 66.3 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.079 0.552 . . . . 0.0 112.318 175.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 45.83 42.44 11.21 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 125.764 1.65 . . . . 0.0 113.107 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -146.29 -42.65 0.2 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.296 1.839 . . . . 0.0 111.541 -171.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -53.78 -29.51 40.51 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.897 1.279 . . . . 0.0 113.705 176.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.97 14.36 2.28 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.073 1.349 . . . . 0.0 113.744 179.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 60.43 53.26 47.03 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 124.693 1.139 . . . . 0.0 111.605 -174.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.9 p -45.61 109.11 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.577 1.551 . . . . 0.0 112.721 -174.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 16.6 m -150.76 149.99 30.45 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.062 1.345 . . . . 0.0 110.733 -172.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -65.85 119.12 10.7 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.657 1.183 . . . . 0.0 111.494 174.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.252 1.221 0 C-N-CA 126.045 1.738 . . . . 0.0 112.344 177.128 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.2 p . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 m -65.25 -34.53 78.58 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 173.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.51 -46.11 60.58 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.362 0.665 . . . . 0.0 112.016 176.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -55.1 -48.46 73.54 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.34 1.056 . . . . 0.0 111.086 170.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.0 -28.94 69.85 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 175.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -65.88 -52.05 53.46 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 121.003 1.729 . . . . 0.0 111.797 172.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.49 -44.22 79.03 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.537 -0.727 . . . . 0.0 112.315 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.06 -48.74 77.81 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 123.312 0.645 . . . . 0.0 111.113 172.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.4 t -62.19 -41.16 98.09 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 118.338 -0.839 . . . . 0.0 111.918 176.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.4 t -54.46 -46.82 73.4 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.818 1.19 . . . . 0.0 112.132 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.7 m -75.0 -39.37 61.26 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 174.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.8 mt -68.0 -32.85 73.54 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.94 1.246 . . . . 0.0 112.65 177.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.2 -32.28 64.7 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.155 0.982 . . . . 0.0 113.194 173.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.06 -12.42 59.32 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 118.871 0.76 . . . . 0.0 112.606 172.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.2 t -88.52 83.69 6.8 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.776 1.231 . . . . 0.0 111.95 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.3 m -53.99 -26.75 27.53 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 172.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.66 -36.26 83.15 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.403 1.002 . . . . 0.0 113.217 172.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.3 mm -72.52 -41.19 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.593 0.757 . . . . 0.0 110.367 174.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -59.39 -45.36 91.67 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.46 -0.775 . . . . 0.0 111.344 173.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.58 -38.98 93.2 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 117.872 -1.061 . . . . 0.0 113.624 172.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.4 -49.82 69.02 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 119.984 1.265 . . . . 0.0 112.019 171.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -72.21 -29.35 63.88 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.01 -26.86 39.67 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.486 1.039 . . . . 0.0 113.305 175.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.6 t -65.5 -48.38 72.79 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.762 0.825 . . . . 0.0 112.672 177.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.2 m -66.75 146.39 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 123.447 0.699 . . . . 0.0 112.093 173.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.64 13.78 5.41 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.3 1.04 . . . . 0.0 113.518 -177.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.1 m -140.17 139.13 35.65 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.828 1.651 . . . . 0.0 109.654 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.86 -31.31 69.65 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 178.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.3 m -73.44 -30.49 63.24 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 172.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.27 -40.04 67.93 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.154 -0.966 . . . . 0.0 110.198 171.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.4 -45.81 82.54 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.58 0.752 . . . . 0.0 112.697 174.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.1 p -65.5 -37.09 85.77 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.433 -0.792 . . . . 0.0 111.79 175.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.6 t -68.45 -37.97 80.71 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.507 1.049 . . . . 0.0 113.642 173.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -47.05 87.7 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 120.119 1.327 . . . . 0.0 110.186 169.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.38 -30.41 71.55 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.045 0.938 . . . . 0.0 112.544 177.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -68.85 -53.32 22.01 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.096 0.558 . . . . 0.0 110.866 170.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -59.59 -51.64 68.97 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.395 0.998 . . . . 0.0 112.733 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.459 ' CD1' HD22 ' A' ' 111' ' ' LEU . 2.3 pp -65.35 -29.31 46.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 118.584 0.629 . . . . 0.0 112.432 177.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.33 -40.41 55.26 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 124.867 1.223 . . . . 0.0 113.546 175.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 73.1 mt -60.6 -44.43 96.28 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.482 1.641 . . . . 0.0 111.267 171.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.8 m -61.23 -49.07 78.61 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.317 1.047 . . . . 0.0 111.859 175.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.12 -44.84 95.76 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.716 -0.615 . . . . 0.0 112.378 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.08 -41.94 97.57 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.091 1.356 . . . . 0.0 112.271 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.2 mtp85 -66.0 -42.55 89.59 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.598 0.759 . . . . 0.0 112.719 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.7 m -63.5 -34.46 77.82 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 173.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.3 mt -86.32 -14.32 43.95 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.685 1.194 . . . . 0.0 113.686 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.44 22.78 33.36 Favored Glycine 0 CA--C 1.54 1.651 0 C-N-CA 125.141 1.353 . . . . 0.0 116.433 172.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.448 HG22 ' H ' ' A' ' 53' ' ' SER . 1.4 mp -66.62 134.73 29.63 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 C-N-CA 125.487 1.515 . . . . 0.0 111.11 -174.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.92 0.89 22.42 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.448 ' H ' HG22 ' A' ' 51' ' ' ILE . 7.3 t -149.99 57.81 0.97 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.537 1.135 . . . . 0.0 110.409 -174.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -52.76 -43.28 65.7 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 120.906 -1.121 . . . . 0.0 112.327 -172.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.3 p -59.46 -30.87 68.82 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.544 1.938 . . . . 0.0 114.122 175.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.05 -42.48 23.64 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.04 0.836 . . . . 0.0 112.421 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.6 tt -66.77 -49.52 65.65 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.568 1.076 . . . . 0.0 110.789 175.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.31 -34.56 75.44 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.321 0.648 . . . . 0.0 112.668 175.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -65.06 -40.61 97.13 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 124.934 1.254 . . . . 0.0 113.361 172.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.77 94.94 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 118.613 1.207 . . . . 0.0 112.198 169.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.8 mt -65.44 -37.03 85.68 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 120.011 1.278 . . . . 0.0 112.679 173.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.85 -49.56 77.0 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.992 0.917 . . . . 0.0 110.766 173.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -65.14 -32.07 73.58 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.49 -51.42 63.07 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.543 1.065 . . . . 0.0 112.183 176.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.7 t -66.84 -42.1 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.137 0.975 . . . . 0.0 111.374 177.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.55 -21.78 65.14 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 123.378 0.513 . . . . 0.0 114.314 171.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.99 -34.67 82.44 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.135 1.35 . . . . 0.0 114.239 177.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.4 t -84.42 -37.07 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 117.874 0.837 . . . . 0.0 110.662 168.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.08 172.19 30.05 Favored Glycine 0 CA--C 1.542 1.725 0 C-N-CA 123.718 0.675 . . . . 0.0 113.852 -174.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.06 156.19 18.56 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 -176.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.61 51.23 8.37 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 123.944 0.783 . . . . 0.0 113.408 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -137.65 164.16 29.49 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.901 1.281 . . . . 0.0 113.378 -176.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.0 t -62.08 146.26 50.89 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.268 1.027 . . . . 0.0 112.814 177.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.23 -32.67 62.47 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 167.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.3 t -65.33 -38.83 91.35 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.54 0.609 . . . . 0.0 112.437 174.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.17 -48.38 73.68 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.362 -0.836 . . . . 0.0 112.082 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -66.3 -43.63 85.74 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.737 -0.602 . . . . 0.0 112.049 175.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.69 98.21 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.588 0.755 . . . . 0.0 112.37 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -65.5 -41.93 92.67 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 118.583 -0.722 . . . . 0.0 111.3 174.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.38 86.15 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.385 0.993 . . . . 0.0 112.381 175.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 68.7 mt -60.24 -49.11 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 123.502 0.721 . . . . 0.0 110.811 174.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.04 -28.31 67.29 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.505 -0.759 . . . . 0.0 112.672 -178.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.56 -35.22 60.69 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 120.21 1.368 . . . . 0.0 112.291 170.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.83 -47.49 25.42 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.098 0.863 . . . . 0.0 112.819 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.54 -47.56 69.89 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.071 0.549 . . . . 0.0 110.329 161.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -51.76 -49.44 47.41 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 124.208 0.909 . . . . 0.0 113.809 177.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -59.3 -43.98 92.56 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.558 1.179 . . . . 0.0 111.711 173.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -66.16 -46.21 78.22 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 118.83 0.741 . . . . 0.0 112.848 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.6 mp -69.74 -28.08 65.49 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.942 1.297 . . . . 0.0 111.588 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.3 -47.04 71.79 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.417 1.008 . . . . 0.0 111.873 169.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.2 p -67.13 -25.17 66.05 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.69 1.132 . . . . 0.0 113.203 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -78.45 -11.17 59.94 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.831 1.196 . . . . 0.0 113.852 169.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.76 12.94 71.39 Favored Glycine 0 CA--C 1.537 1.41 0 CA-C-N 119.06 0.845 . . . . 0.0 114.748 -173.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.4 t -65.48 -34.0 67.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.637 1.175 . . . . 0.0 111.317 172.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.3 mt -78.81 121.18 24.47 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.748 -0.595 . . . . 0.0 111.181 173.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 34.4 p30 -150.96 158.97 44.81 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.709 2.004 . . . . 0.0 111.818 -173.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.06 -10.84 24.53 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 120.656 -1.277 . . . . 0.0 114.432 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 36.4 t -56.61 -50.19 74.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.756 1.222 . . . . 0.0 111.673 171.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -174.91 36.31 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -177.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -49.66 -32.87 14.12 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.578 -1.326 . . . . 0.0 114.145 173.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.4 t -59.72 -66.31 0.54 Allowed 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 122.768 0.427 . . . . 0.0 111.556 168.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.3 m -58.57 -27.99 65.13 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -176.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.4 -21.95 66.8 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.742 1.156 . . . . 0.0 113.469 172.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.95 -43.32 93.88 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 124.26 0.933 . . . . 0.0 112.651 169.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.4 m -59.63 -41.5 90.6 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 118.152 0.976 . . . . 0.0 111.728 167.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.58 99.24 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.414 1.006 . . . . 0.0 112.686 177.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.89 -47.95 75.98 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.095 0.861 . . . . 0.0 111.289 172.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.08 -33.44 67.29 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.677 1.126 . . . . 0.0 113.123 176.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -67.25 -41.34 85.75 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 119.227 0.921 . . . . 0.0 112.225 171.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.07 87.96 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.116 0.871 . . . . 0.0 112.7 171.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.459 HD22 ' CD1' ' A' ' 41' ' ' ILE . 56.1 mt -62.54 -37.46 86.18 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.534 0.734 . . . . 0.0 111.733 173.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 32.4 t -65.55 -45.09 84.74 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.021 0.928 . . . . 0.0 111.775 176.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -55.16 -46.91 75.77 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.536 0.607 . . . . 0.0 111.062 170.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 59.8 m -62.42 -41.41 98.67 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 176.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -75.19 -34.0 61.48 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.76 1.164 . . . . 0.0 113.167 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.09 -41.77 94.67 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 118.597 0.635 . . . . 0.0 111.223 165.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -58.37 -27.31 64.11 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.47 1.108 . . . . 0.0 113.457 172.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.0 m . . . . . 0 N--CA 1.48 1.031 0 CA-C-N 121.101 1.773 . . . . 0.0 114.058 171.946 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.8 p . . . . . 0 N--CA 1.47 0.56 0 CA-C-O 119.225 -0.416 . . . . 0.0 112.088 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 m -64.59 -38.15 90.01 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.579 0.751 . . . . 0.0 112.859 174.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.47 -44.9 66.81 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.94 0.791 . . . . 0.0 112.102 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.447 ' CD1' HD21 ' A' ' 95' ' ' LEU . 58.5 t80 -58.37 -50.95 71.84 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.995 0.918 . . . . 0.0 110.691 172.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.59 -28.29 69.78 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 118.09 -0.957 . . . . 0.0 113.249 175.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -66.56 -54.42 23.82 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 121.169 1.804 . . . . 0.0 112.174 172.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.28 -38.53 85.21 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.719 -0.613 . . . . 0.0 111.792 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.77 -52.28 65.78 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 118.441 -0.79 . . . . 0.0 110.985 172.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.2 m -56.02 -41.08 74.39 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.257 0.935 . . . . 0.0 112.473 175.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.3 t -66.47 -50.33 63.66 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.193 0.906 . . . . 0.0 112.115 176.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.6 m -72.2 -15.75 61.95 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 pp -96.42 -28.1 14.6 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.403 1.001 . . . . 0.0 112.468 170.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.7 -30.7 71.72 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.734 1.152 . . . . 0.0 111.817 174.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.1 p -78.45 1.82 20.92 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.812 1.245 . . . . 0.0 113.936 169.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.1 m -109.84 76.17 0.98 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.117 1.767 . . . . 0.0 110.832 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.5 m -52.07 -26.35 10.79 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 176.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.2 -37.57 87.74 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 171.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.3 mt -64.6 -50.94 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.879 0.872 . . . . 0.0 109.449 172.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.0 m -60.42 -41.75 94.59 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -64.88 -42.63 94.65 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 117.724 -1.132 . . . . 0.0 112.711 172.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.6 -37.96 74.11 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 120.212 1.369 . . . . 0.0 112.017 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -75.17 -31.97 61.13 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 173.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.51 -28.65 52.17 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.52 1.055 . . . . 0.0 113.397 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.1 m -67.09 -33.18 74.93 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.447 1.499 . . . . 0.0 113.273 174.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.3 m -86.41 120.57 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 123.744 0.818 . . . . 0.0 111.548 175.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.3 m -124.69 30.27 6.0 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.609 1.564 . . . . 0.0 111.881 -178.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -144.84 137.66 26.49 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 126.985 2.114 . . . . 0.0 109.323 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.0 -35.6 77.27 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.1 m -68.25 -40.51 81.92 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 171.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.66 -44.78 85.3 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.762 0.71 . . . . 0.0 111.101 175.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.6 -38.63 84.28 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.547 1.139 . . . . 0.0 112.295 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 t -52.92 -55.31 24.27 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.888 1.275 . . . . 0.0 110.768 166.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.8 t -63.48 -27.76 69.5 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 176.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.62 -54.91 13.55 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 120.839 -1.163 . . . . 0.0 110.482 174.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.403 ' HB2' HG21 ' A' ' 65' ' ' VAL . . . -63.45 -26.72 68.86 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.308 0.643 . . . . 0.0 112.478 173.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -65.27 -52.37 54.71 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 123.58 0.752 . . . . 0.0 110.743 168.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -64.97 -44.83 88.06 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 120.849 1.658 . . . . 0.0 113.019 177.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.486 ' HA ' ' HB3' ' A' ' 114' ' ' SER . 8.6 mt -60.94 -47.3 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 124.033 0.933 . . . . 0.0 110.83 175.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.48 -38.71 95.1 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-O 118.698 -1.057 . . . . 0.0 113.397 176.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.73 -43.01 97.79 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 119.259 1.53 . . . . 0.0 111.747 175.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.8 t -71.93 -34.31 68.94 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.406 1.003 . . . . 0.0 111.905 -179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.78 -50.06 70.51 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.181 -0.949 . . . . 0.0 111.374 167.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.11 -47.79 82.18 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.734 1.214 . . . . 0.0 112.998 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 ptm85 -67.53 -38.67 84.58 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.404 0.682 . . . . 0.0 112.437 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.5 m -68.68 -27.83 66.32 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.987 0.915 . . . . 0.0 113.221 174.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.1 mt -90.18 -2.37 58.05 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.341 1.457 . . . . 0.0 113.375 171.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.69 30.28 76.98 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.406 1.479 . . . . 0.0 115.628 177.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.6 mm -56.6 135.09 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.986 1.315 . . . . 0.0 111.516 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.7 15.87 0.96 Allowed 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -175.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 m -173.26 65.21 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 129.104 2.962 . . . . 0.0 108.569 -176.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -54.59 -39.81 68.21 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.971 -1.081 . . . . 0.0 111.366 -178.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.3 t -54.82 -34.46 62.81 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.496 1.919 . . . . 0.0 114.397 172.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.03 -41.42 35.72 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.061 -1.025 . . . . 0.0 112.172 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.34 -55.82 18.62 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 118.418 0.553 . . . . 0.0 110.022 175.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.73 -38.25 77.98 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.993 1.317 . . . . 0.0 112.89 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.27 -42.47 75.0 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 124.393 0.997 . . . . 0.0 113.19 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.45 -37.93 88.34 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.818 1.309 . . . . 0.0 112.221 172.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.435 HD22 HG23 ' A' ' 81' ' ' ILE . 72.6 mt -64.7 -39.87 94.4 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.215 -0.928 . . . . 0.0 112.688 171.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.13 -43.32 98.71 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.528 1.131 . . . . 0.0 112.407 173.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -61.64 -36.97 82.3 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.891 1.276 . . . . 0.0 112.392 172.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.25 -49.17 70.67 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.538 0.735 . . . . 0.0 112.182 176.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.403 HG21 ' HB2' ' A' ' 38' ' ' ALA . 3.3 t -61.91 -45.67 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 123.624 0.769 . . . . 0.0 112.296 174.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.38 -15.2 51.53 Favored Glycine 0 CA--C 1.54 1.654 0 C-N-CA 123.857 0.741 . . . . 0.0 114.159 172.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -79.17 -32.15 40.17 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.569 1.557 . . . . 0.0 113.76 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.9 t -75.12 -50.41 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 118.511 1.155 . . . . 0.0 111.029 174.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 131.22 -159.6 23.13 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.672 1.129 . . . . 0.0 113.86 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -113.13 144.05 43.31 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.959 1.304 . . . . 0.0 111.469 173.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.44 14.28 82.12 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 124.072 0.844 . . . . 0.0 115.003 -177.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.71 174.72 6.43 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 118.619 1.209 . . . . 0.0 112.57 174.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.3 t -66.12 145.22 56.08 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.065 -1.022 . . . . 0.0 111.639 172.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.05 -43.45 40.84 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.848 0.859 . . . . 0.0 112.432 168.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.6 t -64.28 -29.19 70.29 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 177.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.43 -45.01 61.57 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 120.803 -1.186 . . . . 0.0 112.286 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -60.41 -45.35 93.92 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.253 0.621 . . . . 0.0 111.833 170.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.26 -41.9 98.86 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 123.109 0.564 . . . . 0.0 112.424 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -67.21 -39.51 86.32 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.698 0.681 . . . . 0.0 111.07 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.41 -45.42 84.62 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.36 0.982 . . . . 0.0 112.057 172.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.435 HG23 HD22 ' A' ' 61' ' ' LEU . 60.7 mt -72.11 -46.19 59.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 123.637 0.775 . . . . 0.0 111.88 178.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.52 -37.22 86.81 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.323 0.965 . . . . 0.0 112.096 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -72.47 -42.64 64.72 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 117.451 -1.261 . . . . 0.0 112.252 170.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.96 -45.87 83.91 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 121.185 1.811 . . . . 0.0 112.38 178.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.36 99.01 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.187 0.995 . . . . 0.0 111.98 170.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.91 -45.64 93.61 Favored Glycine 0 CA--C 1.526 0.76 0 C-N-CA 123.704 0.668 . . . . 0.0 113.183 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -62.78 -38.89 92.41 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.145 1.378 . . . . 0.0 111.523 171.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -62.31 -49.17 76.69 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.154 0.888 . . . . 0.0 111.197 173.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.6 mt -68.3 -22.9 64.69 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.507 -1.371 . . . . 0.0 113.375 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.79 -50.95 61.02 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 119.518 1.054 . . . . 0.0 111.521 167.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.2 p -71.15 -29.13 64.84 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -73.68 -9.36 58.59 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 167.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 67.36 19.58 70.7 Favored Glycine 0 CA--C 1.538 1.501 0 O-C-N 121.102 -0.999 . . . . 0.0 114.422 -176.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.2 t -73.75 -27.02 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.974 1.309 . . . . 0.0 111.487 173.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.447 HD21 ' CD1' ' A' ' 7' ' ' PHE . 70.3 mt -75.11 127.23 32.73 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.756 0.707 . . . . 0.0 111.652 169.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -141.58 143.51 33.75 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.365 1.866 . . . . 0.0 108.859 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.48 -15.39 6.82 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 41.6 t -49.34 -45.71 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 126.415 1.886 . . . . 0.0 112.066 167.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -165.81 26.41 0.05 OUTLIER 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -175.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -51.03 -37.8 47.51 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 120.154 -1.591 . . . . 0.0 113.377 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.47 -64.09 1.06 Allowed 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 123.473 0.709 . . . . 0.0 111.063 168.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.2 t -60.03 -29.04 68.24 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -174.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 66.8 mt -62.59 -23.68 67.16 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 120.242 -1.536 . . . . 0.0 113.431 169.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.33 -41.96 99.65 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 124.099 0.857 . . . . 0.0 112.192 168.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.0 t -61.73 -44.25 97.28 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 117.459 0.63 . . . . 0.0 111.431 169.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.86 -46.26 85.06 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.277 0.944 . . . . 0.0 113.483 178.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.75 -44.27 70.55 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.499 -0.75 . . . . 0.0 111.168 175.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.97 -33.62 72.19 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 120.608 -1.307 . . . . 0.0 113.452 175.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -66.84 -39.41 87.62 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.072 0.851 . . . . 0.0 111.432 171.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.46 -53.23 60.65 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.646 0.657 . . . . 0.0 111.23 170.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.404 HD22 HG22 ' A' ' 41' ' ' ILE . 57.2 mt -60.85 -31.29 70.74 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.01 0.924 . . . . 0.0 113.154 176.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 32.7 t -68.85 -45.53 70.84 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.292 1.037 . . . . 0.0 111.89 175.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -57.61 -41.94 82.26 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.333 0.515 . . . . 0.0 111.311 167.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.486 ' HB3' ' HA ' ' A' ' 41' ' ' ILE . 4.0 m -61.63 -42.32 98.73 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 175.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -71.66 -42.14 67.88 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.315 1.046 . . . . 0.0 112.322 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.42 -39.63 88.1 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.565 0.746 . . . . 0.0 111.74 171.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -69.55 -36.19 76.11 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.823 0.849 . . . . 0.0 113.107 171.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.472 0.66 0 O-C-N 121.035 -1.041 . . . . 0.0 110.737 173.518 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.471 0.625 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -65.26 -35.36 80.8 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.583 0.753 . . . . 0.0 112.049 174.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.452 ' HB1' ' HB3' ' A' ' 101' ' ' SER . . . -70.5 -43.54 69.48 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.648 0.779 . . . . 0.0 111.513 177.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -56.87 -48.31 78.42 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.127 0.971 . . . . 0.0 110.832 170.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.18 -33.5 74.64 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 174.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -61.74 -53.22 58.93 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 120.623 1.556 . . . . 0.0 112.265 176.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.46 -41.23 80.53 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.817 0.735 . . . . 0.0 112.07 178.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.61 -51.66 68.86 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 119.281 -0.39 . . . . 0.0 111.326 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.2 m -62.29 -34.09 75.91 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 118.073 -0.965 . . . . 0.0 113.015 173.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 m -58.24 -46.41 86.0 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 120.788 1.631 . . . . 0.0 112.037 171.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.8 t -70.44 -52.14 24.37 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.337 0.517 . . . . 0.0 111.489 174.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.8 mt -61.34 -32.4 72.28 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 120.393 -1.442 . . . . 0.0 113.387 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.53 -25.7 61.48 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.504 1.122 . . . . 0.0 113.656 172.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.97 -20.32 27.46 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.176 0.991 . . . . 0.0 112.389 173.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.8 m -88.86 80.35 7.16 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.301 1.841 . . . . 0.0 111.845 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.8 m -54.39 -26.83 32.56 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 120.766 -1.209 . . . . 0.0 114.018 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.52 -27.98 51.98 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.052 1.131 . . . . 0.0 114.052 172.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.49 HD11 ' HA ' ' A' ' 112' ' ' SER . 26.3 mm -73.64 -45.29 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.879 1.271 . . . . 0.0 110.574 175.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.439 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . 29.8 t -56.61 -44.64 81.36 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 123.159 0.584 . . . . 0.0 111.289 171.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -62.02 -44.36 96.88 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.971 1.308 . . . . 0.0 112.679 176.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.66 95.95 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 118.98 0.809 . . . . 0.0 112.429 174.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -79.05 -22.16 45.76 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 177.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.3 -23.86 27.94 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.815 1.246 . . . . 0.0 112.89 174.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.8 t -56.09 -44.68 79.26 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.098 0.959 . . . . 0.0 111.576 168.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.9 m -83.43 144.98 9.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 123.827 0.851 . . . . 0.0 111.719 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.0 m -124.98 17.53 8.52 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.601 1.56 . . . . 0.0 112.163 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.7 t -138.01 140.16 40.01 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.243 1.417 . . . . 0.0 110.352 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.25 -43.35 98.27 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 122.844 0.457 . . . . 0.0 110.677 -177.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.4 m -60.23 -36.9 78.77 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 172.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.94 -42.32 85.5 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.281 0.946 . . . . 0.0 111.713 175.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.3 -42.8 96.18 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.139 0.575 . . . . 0.0 112.105 172.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.5 m -57.32 -48.53 78.72 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.627 1.171 . . . . 0.0 111.843 173.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.5 m -66.24 -31.44 72.27 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.931 0.893 . . . . 0.0 113.342 175.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mt -65.11 -51.74 59.53 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.715 1.143 . . . . 0.0 110.999 171.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.61 -33.47 68.26 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.345 1.058 . . . . 0.0 112.22 174.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.421 ' HA ' ' HB1' ' A' ' 58' ' ' ALA . 14.0 t80 -67.88 -51.32 49.42 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.893 0.877 . . . . 0.0 111.892 172.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -58.96 -52.34 66.18 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.555 1.142 . . . . 0.0 112.572 178.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.7 pt -69.94 -33.4 55.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 O-C-N 121.829 -0.545 . . . . 0.0 111.683 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.33 -41.77 96.45 Favored Glycine 0 CA--C 1.526 0.735 0 C-N-CA 125.13 1.348 . . . . 0.0 112.541 174.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mp -60.03 -41.96 93.35 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.994 1.397 . . . . 0.0 112.329 171.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.3 t -64.05 -50.16 69.5 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.739 0.7 . . . . 0.0 111.754 175.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.5 95.57 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.596 -0.69 . . . . 0.0 112.29 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.32 94.91 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.502 1.121 . . . . 0.0 112.744 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -62.25 -43.57 98.53 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.066 0.946 . . . . 0.0 111.993 171.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.8 m -64.0 -30.01 71.12 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 173.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.4 mt -93.62 5.65 50.91 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.672 1.589 . . . . 0.0 113.232 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.52 29.95 64.49 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 125.653 1.597 . . . . 0.0 115.3 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.441 HG22 ' H ' ' A' ' 53' ' ' SER . 44.3 mm -60.53 136.0 24.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.374 1.469 . . . . 0.0 111.318 -176.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.12 11.57 2.73 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -175.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.441 ' H ' HG22 ' A' ' 51' ' ' ILE . 1.6 m -175.17 68.23 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 129.044 2.938 . . . . 0.0 108.82 -176.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -51.31 -41.79 60.75 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 121.227 -0.92 . . . . 0.0 111.209 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.2 p -60.5 -29.53 69.15 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 127.915 2.486 . . . . 0.0 114.479 177.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.53 -40.94 15.76 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 119.358 0.981 . . . . 0.0 111.803 175.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -57.66 11.86 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.895 0.878 . . . . 0.0 109.721 174.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.421 ' HB1' ' HA ' ' A' ' 39' ' ' TYR . . . -69.17 -27.49 65.57 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.401 1.48 . . . . 0.0 112.987 178.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -63.87 -42.25 98.48 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 124.187 0.899 . . . . 0.0 112.486 171.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.9 -40.31 95.0 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 117.966 0.883 . . . . 0.0 111.937 170.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.2 mt -66.27 -40.48 90.15 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.82 0.737 . . . . 0.0 112.68 175.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.58 -48.86 79.89 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.218 1.007 . . . . 0.0 111.269 173.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -65.87 -28.81 69.24 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 175.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.77 -48.15 60.3 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.313 0.96 . . . . 0.0 112.123 173.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.6 t -64.71 -49.69 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.821 1.248 . . . . 0.0 112.224 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.46 -19.05 68.4 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 123.772 0.701 . . . . 0.0 113.69 173.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.23 -37.94 87.17 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.482 1.515 . . . . 0.0 113.571 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.3 t -76.4 -48.4 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 117.97 0.885 . . . . 0.0 110.837 172.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 118.43 179.16 17.06 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.232 1.396 . . . . 0.0 113.652 178.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.08 155.89 39.8 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.577 -0.955 . . . . 0.0 112.748 174.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.33 9.19 57.33 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.216 0.912 . . . . 0.0 115.022 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.99 166.32 16.06 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 118.343 1.072 . . . . 0.0 111.89 173.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 32.7 t -67.94 151.06 47.72 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.512 -0.743 . . . . 0.0 111.636 174.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.439 ' HB2' ' HA ' ' A' ' 22' ' ' SER . . . -54.02 -40.53 67.12 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 123.374 0.67 . . . . 0.0 112.211 168.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.8 t -62.13 -36.69 82.54 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 123.347 0.659 . . . . 0.0 111.856 174.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.73 -46.38 72.33 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.654 1.116 . . . . 0.0 112.259 175.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -64.26 -47.67 78.69 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.131 0.878 . . . . 0.0 112.442 175.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.36 -42.49 98.88 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.425 1.09 . . . . 0.0 112.342 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -64.53 -44.34 91.15 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 119.397 0.999 . . . . 0.0 111.201 172.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.69 -43.59 93.98 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.293 0.951 . . . . 0.0 111.325 177.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 54.7 mt -64.76 -48.12 85.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 124.386 1.074 . . . . 0.0 111.694 171.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.82 -31.11 71.88 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.382 0.992 . . . . 0.0 112.953 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.4 mmm-85 -80.64 -36.92 31.88 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.711 1.604 . . . . 0.0 112.203 171.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.89 -52.83 25.34 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 120.447 1.476 . . . . 0.0 111.291 174.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.35 -44.62 88.85 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.555 1.142 . . . . 0.0 111.598 169.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.07 -50.77 62.17 Favored Glycine 0 CA--C 1.524 0.613 0 CA-C-O 119.172 -0.794 . . . . 0.0 112.913 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -63.17 -42.1 99.34 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.759 1.279 . . . . 0.0 111.954 174.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -63.2 -52.06 63.81 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.819 1.19 . . . . 0.0 111.166 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 38.3 mt -67.57 -26.94 66.53 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 120.391 -1.443 . . . . 0.0 112.58 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.35 -47.58 70.0 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.379 0.991 . . . . 0.0 112.591 168.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 64.1 p -69.13 -28.82 66.8 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.249 0.931 . . . . 0.0 112.859 177.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -75.52 -10.14 59.18 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 167.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 62.26 22.6 63.33 Favored Glycine 0 CA--C 1.539 1.572 0 O-C-N 121.1 -1.0 . . . . 0.0 114.344 -174.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.9 t -66.99 -37.16 78.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.775 1.23 . . . . 0.0 110.989 173.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 pp -95.31 155.52 16.7 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.567 1.147 . . . . 0.0 111.497 170.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -148.71 152.69 37.07 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.809 1.644 . . . . 0.0 108.812 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.57 -20.13 2.78 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 58.1 t -42.93 -48.54 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 127.234 2.214 . . . . 0.0 112.586 166.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -160.36 24.44 0.16 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.175 1.39 . . . . 0.0 113.409 -176.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.22 -39.41 63.74 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 120.61 -1.306 . . . . 0.0 112.68 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.452 ' HB3' ' HB1' ' A' ' 6' ' ' ALA . 14.0 p -63.49 -58.62 6.44 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 117.909 0.322 . . . . 0.0 110.77 171.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.37 -37.14 64.62 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 47.0 mt -68.23 -23.1 64.77 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 120.989 -1.069 . . . . 0.0 113.662 174.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.56 -47.04 91.13 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 123.653 0.644 . . . . 0.0 111.845 167.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.1 m -62.88 -37.33 86.45 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 117.673 0.736 . . . . 0.0 112.661 170.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.2 -47.03 84.26 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 119.735 1.152 . . . . 0.0 112.886 177.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.4 tt -66.27 -40.88 90.44 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.32 -0.863 . . . . 0.0 111.876 171.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.68 -34.81 77.89 Favored 'General case' 0 C--O 1.224 -0.25 0 O-C-N 121.423 -0.798 . . . . 0.0 112.262 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -66.31 -37.78 86.19 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.092 0.86 . . . . 0.0 111.859 170.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.35 -47.04 80.87 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.43 1.014 . . . . 0.0 112.568 174.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 73.0 mt -67.32 -33.22 74.81 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.456 -0.778 . . . . 0.0 112.174 172.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.49 ' HA ' HD11 ' A' ' 21' ' ' ILE . 21.0 t -64.05 -46.11 85.83 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.721 174.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.68 -33.53 70.24 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.662 1.119 . . . . 0.0 112.91 171.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.3 t -78.74 -43.06 26.54 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.535 1.134 . . . . 0.0 113.254 -177.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.56 -44.73 81.53 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.133 -0.979 . . . . 0.0 111.47 168.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.85 -27.32 66.56 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.366 1.066 . . . . 0.0 112.651 172.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.28 -54.99 24.55 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 119.736 1.153 . . . . 0.0 111.876 175.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.5 t . . . . . 0 N--CA 1.469 0.513 0 CA-C-N 117.738 0.244 . . . . 0.0 110.803 174.027 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.2 p . . . . . 0 N--CA 1.473 0.699 0 N-CA-C 113.102 0.778 . . . . 0.0 113.102 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.2 m -63.53 -39.47 94.5 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.046 0.939 . . . . 0.0 112.924 173.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.67 -42.56 58.25 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.506 0.722 . . . . 0.0 111.186 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -54.41 -49.28 70.3 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.984 0.914 . . . . 0.0 110.607 170.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.08 -22.12 66.91 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 173.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -50.37 49.34 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 121.296 1.862 . . . . 0.0 111.115 172.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.58 -38.09 67.99 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.899 0.48 . . . . 0.0 110.391 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.83 -49.84 76.2 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 117.549 -1.215 . . . . 0.0 111.391 168.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.3 m -57.1 -41.48 79.0 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 121.022 1.737 . . . . 0.0 112.837 173.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.7 t -59.81 -46.61 88.67 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.267 0.94 . . . . 0.0 111.89 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.0 m -69.54 -50.3 46.26 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 173.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.91 -36.33 81.04 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.508 1.523 . . . . 0.0 113.049 -175.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.3 -25.77 63.48 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.841 0.857 . . . . 0.0 112.997 172.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.29 -32.17 33.28 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.775 1.63 . . . . 0.0 112.289 171.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.9 m -67.13 72.19 0.1 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 127.539 2.336 . . . . 0.0 112.385 176.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.3 t -53.01 -32.57 47.36 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.407 1.083 . . . . 0.0 112.895 177.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.22 -39.85 84.01 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 170.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 60.4 mt -74.66 -46.26 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.442 1.097 . . . . 0.0 110.555 176.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.4 m -60.01 -42.6 94.67 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.828 0.74 . . . . 0.0 112.487 176.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.4 mtm-85 -70.23 -35.96 74.19 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 117.487 -1.244 . . . . 0.0 113.158 173.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -44.39 94.42 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 120.718 1.599 . . . . 0.0 111.733 171.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -66.69 -35.05 79.23 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 174.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.0 -27.6 54.73 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.233 0.924 . . . . 0.0 113.184 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.0 t -68.53 -42.28 78.71 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.476 1.51 . . . . 0.0 112.163 176.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.4 m -74.75 141.78 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-O 121.482 0.658 . . . . 0.0 112.272 174.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -127.86 18.77 6.67 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.254 1.422 . . . . 0.0 112.468 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.0 m -142.79 139.13 30.85 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.116 1.766 . . . . 0.0 110.306 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.35 -36.15 75.2 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.325 0.65 . . . . 0.0 112.219 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.96 -27.25 63.6 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 172.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.11 -42.31 60.26 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 120.827 -1.17 . . . . 0.0 110.648 174.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.61 93.71 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.987 -0.445 . . . . 0.0 111.882 169.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.3 p -64.71 -38.27 90.43 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.136 0.88 . . . . 0.0 111.765 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.1 t -63.89 -44.65 92.38 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.522 1.129 . . . . 0.0 112.534 173.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.57 -46.85 84.0 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.461 1.028 . . . . 0.0 110.763 174.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.85 -31.69 72.76 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.397 1.079 . . . . 0.0 112.548 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -72.11 -46.11 57.97 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.096 0.958 . . . . 0.0 111.51 172.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -59.71 -54.22 48.84 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.262 0.937 . . . . 0.0 112.513 175.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.8 pt -69.15 -30.09 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 O-C-N 121.672 -0.642 . . . . 0.0 111.588 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.18 -40.13 82.42 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 124.57 1.081 . . . . 0.0 112.594 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mp -58.58 -48.94 79.27 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.822 1.249 . . . . 0.0 111.126 169.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.0 t -63.84 -41.5 97.8 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 177.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.99 -48.01 75.51 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.693 0.797 . . . . 0.0 111.148 176.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.18 97.02 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.561 1.144 . . . . 0.0 112.621 177.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -63.27 -44.34 95.38 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 119.448 1.022 . . . . 0.0 112.734 171.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 t -64.44 -42.02 96.24 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.068 0.947 . . . . 0.0 112.475 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.5 mt -75.59 -27.68 58.63 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.659 1.584 . . . . 0.0 113.522 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.89 27.19 8.48 Favored Glycine 0 CA--C 1.54 1.601 0 C-N-CA 125.159 1.362 . . . . 0.0 115.531 174.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.521 HG22 ' H ' ' A' ' 53' ' ' SER . 1.8 mp -68.34 132.26 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 125.123 1.369 . . . . 0.0 110.4 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.76 12.23 1.13 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 126.118 1.767 . . . . 0.0 115.188 -178.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.521 ' H ' HG22 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -165.65 52.72 0.1 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.418 1.887 . . . . 0.0 110.374 -171.759 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.3 p-10 -49.83 -41.88 45.91 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.996 -1.065 . . . . 0.0 113.229 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.4 p -61.43 -29.65 70.08 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.351 1.46 . . . . 0.0 114.445 174.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.37 -39.89 15.97 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.262 0.937 . . . . 0.0 112.018 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -58.27 9.19 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.319 1.047 . . . . 0.0 109.638 174.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.11 -29.38 69.69 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.305 1.042 . . . . 0.0 112.462 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -63.44 -46.87 91.59 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 123.877 0.751 . . . . 0.0 112.392 172.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.4 -40.34 96.18 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.803 -0.822 . . . . 0.0 112.131 172.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.58 -42.65 99.68 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.004 0.82 . . . . 0.0 112.35 173.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.7 -43.6 97.57 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.563 1.145 . . . . 0.0 112.011 176.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -68.92 -36.63 78.21 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 174.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.05 97.29 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.014 0.824 . . . . 0.0 112.313 173.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.5 t -60.02 -48.53 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 125.392 1.477 . . . . 0.0 111.533 172.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.31 -24.39 55.51 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 123.797 0.713 . . . . 0.0 114.147 173.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.64 -30.07 68.99 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.21 1.386 . . . . 0.0 114.479 174.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 67.5 t -79.76 -48.63 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 118.559 1.179 . . . . 0.0 111.157 175.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.42 162.55 31.43 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.577 1.084 . . . . 0.0 114.653 -176.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.55 160.07 32.2 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 -173.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.06 -10.53 9.54 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.213 1.387 . . . . 0.0 114.404 -174.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.27 160.29 16.1 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.659 1.184 . . . . 0.0 111.895 169.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.0 t -59.65 149.35 30.71 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.424 0.69 . . . . 0.0 112.261 177.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.05 -36.51 65.63 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.841 -0.537 . . . . 0.0 111.574 167.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 m -61.35 -34.54 75.45 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 172.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.62 -46.77 65.48 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 120.33 1.423 . . . . 0.0 111.811 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -63.7 -49.23 73.92 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.957 0.503 . . . . 0.0 112.307 173.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.59 -43.44 93.69 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.289 1.036 . . . . 0.0 111.698 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -62.2 -45.98 90.97 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-O 118.032 -0.985 . . . . 0.0 111.851 172.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.24 90.63 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 120.293 1.406 . . . . 0.0 112.817 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 53.8 mt -67.18 -45.46 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 123.609 0.764 . . . . 0.0 111.158 172.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.66 -34.45 77.12 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.172 0.896 . . . . 0.0 112.681 175.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -66.92 -42.62 85.06 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.022 1.729 . . . . 0.0 111.653 168.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.6 -34.72 46.55 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.055 1.298 . . . . 0.0 112.934 -174.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.29 -47.85 72.28 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.842 0.857 . . . . 0.0 110.937 164.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.25 -48.44 86.11 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 124.91 1.243 . . . . 0.0 113.668 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -63.52 -34.04 76.9 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.225 1.512 . . . . 0.0 111.799 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -65.75 -49.09 69.64 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.464 0.575 . . . . 0.0 110.207 174.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.6 mt -66.2 -24.19 66.57 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 120.999 -1.063 . . . . 0.0 113.046 173.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.77 -50.2 58.34 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 120.823 -1.173 . . . . 0.0 111.555 170.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 62.7 p -71.43 -27.29 63.18 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.451 -0.78 . . . . 0.0 113.071 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -77.1 -5.15 47.83 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 168.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 67.97 26.42 73.98 Favored Glycine 0 CA--C 1.539 1.539 0 CA-C-N 119.572 1.078 . . . . 0.0 114.379 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 40.8 t -85.99 -30.72 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.743 1.617 . . . . 0.0 111.805 175.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 24.9 mt -71.05 117.35 12.44 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.397 0.999 . . . . 0.0 110.315 169.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -137.87 151.88 48.49 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.491 1.516 . . . . 0.0 110.159 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.02 -13.73 5.22 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 173.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 41.6 t -47.81 -49.72 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 126.642 1.977 . . . . 0.0 111.879 168.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -174.93 32.94 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.529 1.531 . . . . 0.0 114.495 -176.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -49.51 -35.7 20.87 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 120.108 -1.62 . . . . 0.0 113.572 176.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.0 t -59.84 -61.81 2.34 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.361 0.665 . . . . 0.0 111.473 169.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -29.31 70.28 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -176.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.45 -28.31 69.72 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 120.796 -1.19 . . . . 0.0 112.889 170.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.45 -39.85 94.22 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 123.78 0.705 . . . . 0.0 112.43 171.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.41 -43.62 96.52 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 118.864 -0.589 . . . . 0.0 111.49 167.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.46 -46.21 89.4 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.67 1.123 . . . . 0.0 112.884 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -67.32 -44.58 78.79 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.611 -0.68 . . . . 0.0 111.792 177.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.46 -32.92 74.58 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 120.991 -1.068 . . . . 0.0 113.22 177.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -66.37 -37.76 86.03 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.992 0.815 . . . . 0.0 111.407 170.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.6 -45.94 84.8 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.936 0.789 . . . . 0.0 112.489 173.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 53.9 mt -64.39 -36.3 83.71 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.481 -0.762 . . . . 0.0 112.382 172.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 34.9 t -62.48 -42.49 99.52 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.141 0.976 . . . . 0.0 112.069 173.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.29 -47.31 78.9 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.981 0.912 . . . . 0.0 111.294 171.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 51.9 m -70.82 -30.2 66.56 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -75.41 -37.86 60.19 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.218 1.007 . . . . 0.0 112.353 174.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.82 -39.09 90.57 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.724 -0.61 . . . . 0.0 111.19 166.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -64.53 -34.07 77.37 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 170.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.478 0.942 0 O-C-N 120.638 -1.289 . . . . 0.0 112.738 172.311 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.468 0.434 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -69.63 -35.8 75.57 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 121.128 -0.982 . . . . 0.0 112.426 175.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.24 -48.49 75.57 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.728 0.811 . . . . 0.0 111.089 174.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -56.26 -49.41 74.27 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.54 1.536 . . . . 0.0 111.22 172.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.63 -19.17 63.52 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.333 1.235 . . . . 0.0 114.333 172.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -54.77 7.08 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 120.912 1.687 . . . . 0.0 111.533 174.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.2 -37.54 81.01 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.265 -0.897 . . . . 0.0 111.719 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.3 -51.69 68.46 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 117.785 -1.102 . . . . 0.0 110.383 172.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.2 t -55.47 -42.83 74.89 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 120.78 1.627 . . . . 0.0 112.352 173.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.6 t -58.18 -43.59 87.6 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.141 0.882 . . . . 0.0 112.486 177.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.7 t -75.82 -48.1 22.97 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.068 0.947 . . . . 0.0 112.531 176.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.4 HD13 ' HB1' ' A' ' 78' ' ' ALA . 59.9 mt -58.94 -36.5 74.88 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.994 1.717 . . . . 0.0 112.209 178.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.17 -16.88 62.55 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.378 1.471 . . . . 0.0 114.26 173.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.3 p -107.58 0.94 22.93 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.194 1.397 . . . . 0.0 112.355 173.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.6 m -89.06 74.53 8.07 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 126.547 1.939 . . . . 0.0 110.963 174.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.2 m -53.15 -29.86 33.7 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.68 94.7 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.167 0.894 . . . . 0.0 113.104 171.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.8 mt -69.68 -46.65 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 124.039 0.936 . . . . 0.0 109.933 175.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.8 m -60.07 -41.18 91.84 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -40.22 75.65 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 117.587 -1.197 . . . . 0.0 113.075 173.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.88 -44.15 94.36 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 120.388 1.449 . . . . 0.0 111.411 174.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -72.92 -30.75 64.14 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 176.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.98 -26.28 43.37 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 119.548 1.067 . . . . 0.0 113.008 172.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.3 t -65.73 -42.24 91.26 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.441 1.496 . . . . 0.0 111.855 174.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.8 m -75.94 140.06 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 121.412 0.625 . . . . 0.0 111.601 173.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.0 m -126.6 19.1 7.37 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.301 1.44 . . . . 0.0 112.279 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.9 t -136.68 137.14 39.7 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.538 1.535 . . . . 0.0 110.161 177.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.5 -33.98 70.42 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.217 0.607 . . . . 0.0 112.036 176.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 t -68.68 -39.95 80.35 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.556 0.743 . . . . 0.0 112.155 174.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.91 -45.2 86.89 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.287 -0.883 . . . . 0.0 111.861 175.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.16 -43.35 98.54 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.779 -0.576 . . . . 0.0 112.08 173.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.6 t -57.02 -49.81 74.65 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.198 1.399 . . . . 0.0 111.875 173.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.7 m -63.13 -39.65 95.3 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.472 1.109 . . . . 0.0 113.231 175.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.48 -50.27 65.96 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.405 1.002 . . . . 0.0 110.358 173.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.4 -32.09 73.43 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 120.828 -1.17 . . . . 0.0 113.023 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -61.5 -57.68 11.17 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.757 1.223 . . . . 0.0 110.945 166.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -59.22 -41.33 88.37 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.937 1.295 . . . . 0.0 113.938 -178.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.8 mm -69.5 -38.39 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.413 1.485 . . . . 0.0 110.561 173.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.43 -35.58 66.72 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 125.944 1.735 . . . . 0.0 114.459 169.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -59.51 -48.94 79.71 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 120.444 2.122 . . . . 0.0 111.519 173.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.2 m -68.1 -41.06 82.37 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.717 -0.614 . . . . 0.0 112.028 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.84 -44.83 91.05 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.732 0.696 . . . . 0.0 111.348 173.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.79 -40.04 96.08 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.688 1.195 . . . . 0.0 113.027 175.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -64.55 -45.57 86.55 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.534 1.061 . . . . 0.0 112.412 172.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.2 m -62.26 -23.36 66.65 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.604 1.162 . . . . 0.0 113.643 175.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.9 mt -105.05 5.93 32.9 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.954 1.702 . . . . 0.0 112.85 177.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.31 32.06 63.38 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.972 1.748 . . . . 0.0 115.673 177.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.42 HG22 ' H ' ' A' ' 53' ' ' SER . 38.6 mm -62.27 130.23 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.974 1.31 . . . . 0.0 111.32 -176.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.34 14.51 1.2 Allowed 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 125.893 1.677 . . . . 0.0 115.197 -177.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.42 ' H ' HG22 ' A' ' 51' ' ' ILE . 1.3 m -170.77 62.7 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 128.87 2.868 . . . . 0.0 109.03 -177.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.8 p30 -53.13 -30.42 36.72 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 120.963 -1.086 . . . . 0.0 113.532 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.9 t -59.41 -41.33 89.23 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.997 1.719 . . . . 0.0 113.579 170.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.23 -39.01 55.6 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.234 -0.916 . . . . 0.0 111.648 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -51.8 59.03 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 122.982 0.513 . . . . 0.0 110.933 175.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.42 -38.12 79.81 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.827 0.851 . . . . 0.0 112.141 174.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.98 -46.83 92.73 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 124.175 0.893 . . . . 0.0 113.329 173.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.63 -38.99 93.23 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 118.509 1.155 . . . . 0.0 112.379 174.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.43 -37.71 88.47 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.806 1.242 . . . . 0.0 112.708 172.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.8 91.87 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.375 1.07 . . . . 0.0 111.694 173.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -63.95 -34.47 78.04 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.722 0.809 . . . . 0.0 112.67 173.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.97 -53.26 59.45 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.505 0.722 . . . . 0.0 111.832 175.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.6 t -66.88 -43.98 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.87 0.868 . . . . 0.0 112.455 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.09 -25.19 64.06 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.236 0.922 . . . . 0.0 113.573 174.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.07 -41.1 99.67 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.347 1.451 . . . . 0.0 113.602 174.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.6 t -87.19 -47.53 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-N 117.904 0.852 . . . . 0.0 111.099 173.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.57 163.78 8.81 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 125.765 1.65 . . . . 0.0 114.87 -177.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.09 132.03 52.81 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 121.53 -0.982 . . . . 0.0 113.452 -176.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 136.49 -39.49 1.64 Allowed Glycine 0 CA--C 1.535 1.339 0 C-N-CA 126.128 1.823 . . . . 0.0 113.604 177.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.32 169.81 5.4 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.528 1.131 . . . . 0.0 113.029 171.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 78.8 p -68.28 158.36 33.55 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.198 -0.939 . . . . 0.0 112.45 173.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.46 -29.94 64.64 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.64 -0.663 . . . . 0.0 112.704 170.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.0 t -59.63 -38.36 81.12 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.68 0.792 . . . . 0.0 112.602 172.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.78 -42.93 94.69 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.905 1.229 . . . . 0.0 112.415 176.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -68.67 -43.41 76.23 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.593 0.757 . . . . 0.0 111.668 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.4 ' HB1' HD13 ' A' ' 15' ' ' LEU . . . -56.98 -39.87 75.45 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.802 1.241 . . . . 0.0 111.854 171.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -64.79 -49.5 70.43 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.904 0.774 . . . . 0.0 111.257 173.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.07 -44.03 96.92 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.612 0.642 . . . . 0.0 111.788 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 43.3 mt -60.13 -53.67 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.577 1.551 . . . . 0.0 110.933 173.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.86 -22.94 64.18 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -81.2 -33.98 32.58 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.395 1.078 . . . . 0.0 113.416 167.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.57 -51.82 15.58 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 120.776 1.626 . . . . 0.0 110.924 176.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.48 -44.66 92.98 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.14 0.976 . . . . 0.0 111.346 168.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.75 -48.69 82.54 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-O 118.895 -0.947 . . . . 0.0 113.104 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -62.57 -44.92 95.13 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 119.141 1.47 . . . . 0.0 111.678 174.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -64.76 -48.62 73.86 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.159 0.891 . . . . 0.0 111.872 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.2 mt -69.02 -27.15 65.41 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.542 -1.349 . . . . 0.0 112.526 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.28 -47.21 71.3 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.481 1.037 . . . . 0.0 112.221 168.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 61.9 p -69.06 -30.66 69.04 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.318 0.963 . . . . 0.0 112.815 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -74.9 -8.66 57.12 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 168.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 61.73 21.27 60.53 Favored Glycine 0 CA--C 1.539 1.572 0 O-C-N 121.138 -0.976 . . . . 0.0 114.365 -174.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.5 t -64.83 -35.16 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.706 1.203 . . . . 0.0 110.835 172.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 pp -105.7 151.28 24.62 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.566 1.146 . . . . 0.0 111.531 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -150.87 152.84 34.28 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.062 1.745 . . . . 0.0 108.617 -175.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.93 -19.36 2.53 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 58.7 t -44.92 -48.2 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 127.169 2.187 . . . . 0.0 112.587 167.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -161.25 29.44 0.14 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.332 1.453 . . . . 0.0 113.163 -176.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.34 -41.17 68.77 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 120.763 -1.211 . . . . 0.0 112.67 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.6 p -59.16 -59.89 4.74 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 123.148 0.579 . . . . 0.0 111.647 167.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -36.06 63.93 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -177.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 76.1 mt -66.34 -25.8 66.99 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.695 1.198 . . . . 0.0 114.009 173.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.77 -42.32 94.41 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 123.762 0.696 . . . . 0.0 112.059 167.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -33.28 75.3 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 171.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.36 -47.57 72.98 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 119.061 0.846 . . . . 0.0 112.543 176.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.03 -39.36 83.1 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.224 -0.922 . . . . 0.0 112.135 172.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.32 -37.08 85.85 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 119.421 1.009 . . . . 0.0 111.887 175.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -64.52 -34.64 78.71 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.312 0.96 . . . . 0.0 112.552 168.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.05 -47.33 71.65 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 120.317 1.417 . . . . 0.0 112.665 175.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 29.4 mt -65.54 -39.82 92.18 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.253 1.021 . . . . 0.0 111.418 172.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 34.4 t -69.59 -42.97 73.75 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.594 1.158 . . . . 0.0 113.344 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -56.04 -44.96 79.32 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.761 1.164 . . . . 0.0 110.601 173.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.9 t -66.77 -47.66 71.46 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 176.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.68 -35.23 78.46 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.694 1.134 . . . . 0.0 113.361 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.64 -43.73 95.92 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.584 1.154 . . . . 0.0 111.612 170.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -66.02 -33.74 76.5 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.558 -0.714 . . . . 0.0 112.536 171.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 N--CA 1.47 0.536 0 O-C-N 120.567 -1.333 . . . . 0.0 111.648 174.367 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.2 p . . . . . 0 N--CA 1.471 0.614 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 t -67.51 -38.06 83.72 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.363 0.665 . . . . 0.0 111.82 174.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.52 -44.44 82.47 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.446 1.021 . . . . 0.0 111.849 172.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.422 ' CD1' HD21 ' A' ' 95' ' ' LEU . 62.1 t80 -58.56 -49.6 76.85 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 120.994 -1.066 . . . . 0.0 110.238 173.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.1 -29.05 70.49 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-O 117.807 -1.092 . . . . 0.0 113.17 174.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -65.37 -56.22 13.77 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 121.583 1.992 . . . . 0.0 111.477 175.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.65 -41.48 88.19 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.485 0.584 . . . . 0.0 111.618 178.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.81 -52.79 64.01 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 117.684 -1.151 . . . . 0.0 110.58 174.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.3 m -58.9 -35.67 73.42 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 120.669 1.577 . . . . 0.0 113.033 174.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.34 -44.96 92.58 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.492 1.042 . . . . 0.0 111.453 175.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.6 t -73.34 -51.4 17.57 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.731 0.812 . . . . 0.0 112.079 174.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.6 mt -57.96 -36.64 72.84 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.247 2.219 . . . . 0.0 113.19 -178.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.07 -27.01 61.48 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 124.342 1.057 . . . . 0.0 113.104 173.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.7 -28.97 36.52 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.828 1.651 . . . . 0.0 112.413 172.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.2 m -70.52 74.77 0.56 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 127.085 2.154 . . . . 0.0 112.453 177.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.3 m -52.63 -31.56 37.39 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.958 0.903 . . . . 0.0 113.202 175.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.32 -39.85 94.39 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.304 0.957 . . . . 0.0 113.187 172.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 64.2 mt -70.27 -46.06 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 124.117 0.967 . . . . 0.0 110.146 175.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.1 t -59.36 -43.37 92.86 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.031 0.532 . . . . 0.0 111.776 175.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -62.61 -43.99 97.43 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 117.752 -1.118 . . . . 0.0 113.183 171.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.44 -43.82 93.04 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 120.413 1.46 . . . . 0.0 111.79 175.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -65.51 -36.14 82.97 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.67 -26.06 50.05 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 174.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.8 t -66.82 -42.69 85.46 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 125.457 1.503 . . . . 0.0 111.867 177.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.8 m -74.85 148.38 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 O-C-N 121.955 -0.466 . . . . 0.0 112.091 171.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.7 p -136.76 19.11 3.05 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.222 1.409 . . . . 0.0 113.015 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.32 137.23 38.73 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.704 2.002 . . . . 0.0 109.747 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.08 -36.69 77.95 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.927 -0.483 . . . . 0.0 112.233 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 m -70.24 -31.3 68.64 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 171.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.64 -40.7 72.92 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 120.427 -1.421 . . . . 0.0 110.672 173.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.9 -42.15 90.58 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.734 0.813 . . . . 0.0 111.623 171.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.8 p -61.59 -41.6 97.66 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 120.938 -1.101 . . . . 0.0 111.066 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.4 t -69.19 -38.96 78.91 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.797 1.239 . . . . 0.0 113.265 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.83 -45.75 91.15 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.538 -1.351 . . . . 0.0 110.586 173.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.05 -27.9 65.02 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.411 0.684 . . . . 0.0 112.121 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -63.46 -53.44 52.11 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 123.721 0.808 . . . . 0.0 110.308 168.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.35 -45.38 84.41 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 120.39 -1.444 . . . . 0.0 113.134 -179.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.1 mt -62.43 -43.11 97.91 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 124.745 1.218 . . . . 0.0 110.974 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.18 -39.66 92.47 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 125.091 1.329 . . . . 0.0 113.026 176.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.9 -52.34 65.47 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.534 1.667 . . . . 0.0 110.524 174.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.9 m -64.76 -31.84 73.25 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.18 -48.25 44.65 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.301 -0.874 . . . . 0.0 111.949 172.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.08 -37.35 69.21 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.886 1.274 . . . . 0.0 112.008 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.6 mmm-85 -62.32 -41.75 98.8 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.781 1.632 . . . . 0.0 113.778 170.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.0 m -65.19 -40.52 94.35 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.932 0.787 . . . . 0.0 112.208 173.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 mp -75.35 -23.17 57.16 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.675 0.79 . . . . 0.0 112.679 176.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.5 26.34 23.31 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 125.265 1.412 . . . . 0.0 114.447 176.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.506 HG22 ' H ' ' A' ' 53' ' ' SER . 1.7 mp -59.37 137.24 22.08 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.99 0 C-N-CA 124.764 1.226 . . . . 0.0 110.738 178.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.4 8.52 21.34 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 125.181 1.393 . . . . 0.0 114.11 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.506 ' H ' HG22 ' A' ' 51' ' ' ILE . 34.9 p -152.48 51.74 0.77 Allowed 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.408 1.883 . . . . 0.0 110.196 -173.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -53.97 -37.99 64.54 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.347 -0.846 . . . . 0.0 110.552 -174.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 42.1 p -55.6 -36.45 66.95 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 127.141 2.177 . . . . 0.0 114.187 173.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.21 -40.26 21.94 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.626 1.171 . . . . 0.0 112.218 178.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.39 -58.52 6.81 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.813 0.845 . . . . 0.0 109.298 175.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.07 -35.68 77.59 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.904 1.282 . . . . 0.0 112.226 176.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.89 -42.64 96.84 Favored Glycine 0 CA--C 1.535 1.291 0 CA-C-N 119.078 0.854 . . . . 0.0 112.57 175.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.8 96.46 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.419 1.109 . . . . 0.0 111.675 171.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.436 HD22 HG23 ' A' ' 81' ' ' ILE . 79.7 mt -63.36 -40.72 98.04 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.02 0.827 . . . . 0.0 112.952 174.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.15 -49.7 76.62 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.112 0.965 . . . . 0.0 111.285 174.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -63.37 -37.09 85.93 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.123 0.969 . . . . 0.0 112.143 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.38 -48.89 73.76 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.397 1.079 . . . . 0.0 112.434 176.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 38.9 t -63.08 -41.22 92.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 123.963 0.905 . . . . 0.0 111.64 175.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.66 -20.74 56.93 Favored Glycine 0 CA--C 1.541 1.674 0 C-N-CA 124.346 0.974 . . . . 0.0 113.783 171.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.51 -41.43 96.26 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 125.347 1.451 . . . . 0.0 113.15 176.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.0 t -79.58 -44.22 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 118.07 0.935 . . . . 0.0 110.512 171.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.2 166.36 10.71 Favored Glycine 0 CA--C 1.542 1.777 0 C-N-CA 123.964 0.792 . . . . 0.0 113.649 -175.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.45 155.17 18.89 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -173.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.67 43.62 7.7 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 124.215 0.912 . . . . 0.0 113.322 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -138.13 166.68 23.54 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.456 1.502 . . . . 0.0 112.208 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.3 m -60.57 148.33 38.47 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.742 1.217 . . . . 0.0 112.045 178.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.71 -41.33 70.16 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.581 -0.699 . . . . 0.0 111.793 171.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.9 t -56.52 -36.24 68.98 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.458 1.103 . . . . 0.0 112.969 173.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.65 -46.13 80.36 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 120.411 1.46 . . . . 0.0 112.027 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -68.84 -44.76 72.75 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.578 -0.701 . . . . 0.0 111.483 174.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.74 -38.09 86.66 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.19 1.396 . . . . 0.0 112.031 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -69.95 -46.55 65.02 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.533 1.533 . . . . 0.0 110.614 172.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.69 -43.13 80.2 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 120.061 1.301 . . . . 0.0 112.049 175.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.436 HG23 HD22 ' A' ' 61' ' ' LEU . 53.6 mt -60.41 -51.23 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 125.624 1.57 . . . . 0.0 111.235 170.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.16 -27.0 68.78 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 119.389 0.995 . . . . 0.0 113.227 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -77.43 -42.21 36.98 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.699 1.2 . . . . 0.0 112.19 170.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.78 -49.85 42.16 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.557 1.071 . . . . 0.0 111.879 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.87 88.48 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.962 0.905 . . . . 0.0 110.641 167.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -57.05 -46.03 91.86 Favored Glycine 0 CA--C 1.535 1.295 0 CA-C-O 119.014 -0.881 . . . . 0.0 113.076 177.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -62.24 -41.85 98.79 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.167 1.483 . . . . 0.0 111.821 172.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -60.88 -48.34 82.25 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.217 0.607 . . . . 0.0 111.12 175.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.0 mt -73.56 -22.15 60.15 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.003 0.921 . . . . 0.0 112.338 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.27 -52.76 36.85 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.621 -1.3 . . . . 0.0 111.1 167.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.5 t -66.68 -32.3 73.52 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -71.73 -7.88 50.8 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 170.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.92 11.52 69.87 Favored Glycine 0 CA--C 1.539 1.587 0 O-C-N 120.845 -1.159 . . . . 0.0 114.206 -178.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.9 t -69.31 -35.52 67.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 125.443 1.497 . . . . 0.0 110.713 175.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.422 HD21 ' CD1' ' A' ' 7' ' ' PHE . 55.0 mt -72.97 119.25 16.96 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 121.668 0.747 . . . . 0.0 110.986 169.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -148.13 150.37 33.71 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 127.063 2.145 . . . . 0.0 111.033 -175.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.26 -12.47 13.42 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 47.9 t -52.73 -49.66 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.133 1.773 . . . . 0.0 111.309 170.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -169.64 33.67 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.133 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -177.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -50.15 -33.59 19.55 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.774 1.624 . . . . 0.0 112.467 175.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.5 t -63.39 -64.31 0.94 Allowed 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.847 -0.533 . . . . 0.0 110.082 170.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.78 -30.79 69.12 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -174.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.22 -25.07 66.8 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.88 -1.138 . . . . 0.0 113.28 171.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -60.71 -46.71 93.93 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 124.156 0.884 . . . . 0.0 112.194 169.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.2 m -63.16 -37.18 86.22 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 117.934 0.867 . . . . 0.0 112.39 169.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.87 -46.4 90.74 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 119.975 1.261 . . . . 0.0 112.435 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -72.34 -40.89 67.05 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.429 -0.794 . . . . 0.0 111.577 177.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.8 -38.46 81.99 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.168 -0.957 . . . . 0.0 112.512 173.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -67.66 -36.42 80.7 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.875 0.761 . . . . 0.0 111.952 173.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.13 -46.28 88.03 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.287 0.948 . . . . 0.0 111.956 172.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 78.5 mt -65.86 -35.0 79.44 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.548 0.739 . . . . 0.0 111.929 173.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.9 t -63.92 -41.1 97.74 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.422 1.089 . . . . 0.0 112.286 173.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.5 -48.38 77.29 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.476 0.71 . . . . 0.0 110.647 170.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.4 m -65.46 -35.93 82.38 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 176.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -71.11 -45.51 63.51 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.845 1.258 . . . . 0.0 112.333 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.45 92.13 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.758 0.823 . . . . 0.0 110.813 170.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -67.1 -32.34 73.42 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 173.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.54 0.575 0 O-C-N 120.641 -1.287 . . . . 0.0 111.888 170.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.2 t . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -64.75 -37.2 86.79 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.203 -0.936 . . . . 0.0 112.725 175.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.35 -42.53 79.11 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.194 -0.941 . . . . 0.0 111.513 174.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -55.22 -49.48 71.85 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.958 0.903 . . . . 0.0 110.772 172.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.57 -25.79 68.13 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 117.457 -1.259 . . . . 0.0 113.817 174.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -71.95 -46.57 57.0 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 121.023 1.738 . . . . 0.0 113.297 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.04 -41.38 70.87 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.128 -0.982 . . . . 0.0 111.1 176.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.01 -50.33 73.77 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 118.479 -0.772 . . . . 0.0 111.105 171.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.7 p -62.22 -34.71 77.01 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 120.252 1.387 . . . . 0.0 112.815 176.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 m -57.33 -47.39 81.7 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.907 1.685 . . . . 0.0 112.573 171.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.2 m -72.04 -45.93 58.95 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.7 mt -66.92 -31.26 71.72 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.604 1.161 . . . . 0.0 111.913 -179.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.9 -36.59 78.22 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.915 1.286 . . . . 0.0 113.327 174.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 t -83.52 -3.33 57.54 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 174.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.0 t -105.55 77.6 1.29 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.236 1.414 . . . . 0.0 111.301 -175.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.6 m -53.91 -25.13 18.73 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.312 1.226 . . . . 0.0 114.312 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.75 -32.14 72.37 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.269 1.028 . . . . 0.0 113.468 172.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.69 HD11 ' HA ' ' A' ' 112' ' ' SER . 30.3 mm -70.59 -48.5 58.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.352 1.461 . . . . 0.0 109.749 173.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.5 m -57.52 -39.33 76.3 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 123.498 0.719 . . . . 0.0 111.793 174.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -61.31 -53.11 60.95 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 116.848 -1.548 . . . . 0.0 112.005 168.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.51 -35.96 31.76 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 121.549 1.977 . . . . 0.0 113.733 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.424 ' CE2' HG22 ' A' ' 21' ' ' ILE . 17.1 m-85 -82.97 -36.03 25.44 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 176.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.28 -23.85 47.03 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.397 0.999 . . . . 0.0 113.271 176.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.2 m -62.78 -27.5 69.34 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 127.314 2.246 . . . . 0.0 113.376 174.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.5 m -96.34 154.03 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 123.62 0.768 . . . . 0.0 111.109 172.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.4 m -121.26 15.1 11.37 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.936 1.295 . . . . 0.0 112.575 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.7 m -140.34 139.93 35.49 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.916 1.686 . . . . 0.0 110.79 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.73 98.39 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.451 0.701 . . . . 0.0 110.917 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.1 t -65.0 -32.23 73.86 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.013 0.925 . . . . 0.0 112.86 176.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.47 -41.21 76.48 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.954 -1.091 . . . . 0.0 111.801 173.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.93 -41.52 98.04 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.503 0.592 . . . . 0.0 111.185 168.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.0 m -57.05 -46.33 82.51 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.227 1.011 . . . . 0.0 111.489 175.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.2 m -63.7 -44.1 94.66 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 118.903 0.774 . . . . 0.0 112.721 173.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.8 -49.98 74.15 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.69 1.132 . . . . 0.0 111.609 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.453 ' HB1' HD11 ' A' ' 61' ' ' LEU . . . -62.68 -35.91 81.2 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.41 1.484 . . . . 0.0 112.205 177.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -63.15 -50.31 70.91 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.278 1.031 . . . . 0.0 111.46 169.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -58.91 -50.29 74.58 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.653 1.115 . . . . 0.0 112.694 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.9 pt -70.02 -31.42 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 123.324 0.649 . . . . 0.0 112.1 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.18 -36.06 63.95 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 125.746 1.641 . . . . 0.0 113.678 175.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.8 mt -60.55 -43.01 97.7 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.143 1.472 . . . . 0.0 111.397 169.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.5 t -64.26 -43.75 93.9 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 118.401 0.546 . . . . 0.0 111.924 176.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.6 -44.87 93.24 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.553 -0.717 . . . . 0.0 111.964 171.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.64 -42.21 98.16 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.615 1.166 . . . . 0.0 112.901 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.3 mtp85 -61.72 -40.64 95.78 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.006 1.322 . . . . 0.0 112.196 173.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.0 t -64.57 -37.87 89.05 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.742 0.817 . . . . 0.0 112.7 172.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.0 mt -85.8 5.68 31.47 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.849 1.66 . . . . 0.0 113.792 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.07 30.0 69.4 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 125.396 1.474 . . . . 0.0 115.146 177.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.9 mm -61.41 133.33 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.519 1.528 . . . . 0.0 111.427 -174.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.12 11.54 1.8 Allowed 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 115.1 1.518 . . . . 0.0 115.1 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.485 ' HB3' ' HB3' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -175.67 66.43 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 128.532 2.733 . . . . 0.0 108.537 -173.311 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -53.02 -43.4 66.52 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.277 -0.889 . . . . 0.0 110.884 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.7 t -56.0 -38.12 70.05 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.853 1.661 . . . . 0.0 113.759 174.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.485 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -78.29 -40.65 36.24 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.302 0.955 . . . . 0.0 112.172 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.0 tt -61.59 -56.24 21.99 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.177 0.898 . . . . 0.0 109.892 172.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.32 -36.95 79.13 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.686 0.795 . . . . 0.0 112.113 -178.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.52 -43.16 78.61 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.515 1.055 . . . . 0.0 113.508 174.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.68 -36.33 83.48 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 118.546 1.173 . . . . 0.0 112.325 172.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.453 HD11 ' HB1' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -68.49 -40.93 80.71 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.985 1.314 . . . . 0.0 112.349 172.507 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.22 -41.55 79.69 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.908 0.883 . . . . 0.0 112.105 171.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -62.59 -31.43 72.25 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 174.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.81 -42.4 67.1 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.069 0.849 . . . . 0.0 111.971 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 t -60.81 -46.53 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.443 1.097 . . . . 0.0 112.032 171.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.71 -5.29 30.27 Favored Glycine 0 CA--C 1.539 1.549 0 C-N-CA 124.334 0.969 . . . . 0.0 114.403 170.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.44 -34.14 29.65 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.425 1.488 . . . . 0.0 113.698 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 13.7 t -83.46 -50.13 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-N 118.365 1.082 . . . . 0.0 111.432 177.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.95 174.83 18.83 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 125.064 1.316 . . . . 0.0 114.084 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.32 152.89 40.75 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.231 1.013 . . . . 0.0 112.543 -177.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.06 9.79 36.74 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 123.94 0.781 . . . . 0.0 114.918 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.72 165.48 10.32 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.92 1.288 . . . . 0.0 112.423 173.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.3 t -61.65 145.79 51.11 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 122.922 0.489 . . . . 0.0 111.943 178.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.37 -42.25 81.75 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.605 -0.684 . . . . 0.0 112.512 172.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.4 m -66.54 -26.49 67.16 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 173.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.09 -43.27 65.07 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 119.373 0.988 . . . . 0.0 111.58 174.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -64.18 -44.85 90.76 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.798 0.727 . . . . 0.0 111.942 171.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.49 -48.16 79.98 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.235 0.614 . . . . 0.0 111.985 175.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -65.28 -37.52 87.43 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 118.357 -0.83 . . . . 0.0 113.139 173.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.83 94.48 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 120.649 1.568 . . . . 0.0 112.306 176.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 78.2 mt -71.33 -43.02 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 O-C-N 121.116 -0.99 . . . . 0.0 110.555 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.46 -31.61 71.02 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 178.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -70.68 -32.95 70.39 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.679 1.127 . . . . 0.0 111.225 167.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.55 -44.5 64.46 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.82 1.191 . . . . 0.0 111.969 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.43 -45.58 86.91 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.846 -0.534 . . . . 0.0 111.267 169.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.67 -48.64 83.07 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 125.092 1.329 . . . . 0.0 113.487 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -63.24 -37.04 85.67 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.141 1.47 . . . . 0.0 111.005 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -67.65 -50.57 57.2 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.56 0.618 . . . . 0.0 110.404 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.9 mt -66.71 -29.34 69.3 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 120.88 -1.137 . . . . 0.0 112.449 176.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.68 -49.25 66.73 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.349 1.459 . . . . 0.0 112.59 171.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 70.8 p -67.8 -32.53 73.15 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.159 0.89 . . . . 0.0 112.317 178.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -77.76 -7.18 56.2 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 171.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 58.96 22.99 56.26 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.689 1.138 . . . . 0.0 114.355 -175.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 17.6 t -69.03 -41.69 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.137 1.375 . . . . 0.0 110.666 176.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 pp -87.89 154.93 20.13 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.542 0.737 . . . . 0.0 111.31 170.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -151.14 148.54 28.4 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.697 1.599 . . . . 0.0 108.712 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -47.1 -20.36 0.16 Allowed 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 176.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 95.8 t -43.12 -48.77 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 127.075 2.15 . . . . 0.0 112.636 164.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -160.62 24.65 0.15 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.474 1.51 . . . . 0.0 113.611 -177.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.98 -36.38 67.8 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 120.339 -1.476 . . . . 0.0 113.38 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 p -58.21 -64.35 0.95 Allowed 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 122.65 0.38 . . . . 0.0 111.189 165.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.9 -36.87 60.04 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 -178.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 66.0 mt -65.56 -28.51 69.21 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.012 -1.055 . . . . 0.0 113.125 172.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.0 -48.22 74.8 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 124.515 1.055 . . . . 0.0 112.227 168.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.5 m -63.43 -37.47 87.43 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.024 0.912 . . . . 0.0 113.014 171.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.15 96.72 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 7.9 tt -80.73 -33.64 35.02 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.495 -0.753 . . . . 0.0 112.158 173.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.62 -35.21 70.18 Favored 'General case' 0 C--O 1.222 -0.356 0 O-C-N 121.071 -1.018 . . . . 0.0 111.87 171.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -60.11 -36.74 78.11 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 119.236 0.925 . . . . 0.0 112.986 169.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.37 -51.4 66.03 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.39 0.996 . . . . 0.0 111.006 174.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.0 mt -63.88 -37.47 87.49 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.528 0.731 . . . . 0.0 112.279 177.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.69 ' HA ' HD11 ' A' ' 21' ' ' ILE . 3.5 m -64.23 -46.78 82.31 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.852 1.261 . . . . 0.0 112.95 174.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -62.93 -40.92 99.1 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.969 0.804 . . . . 0.0 111.451 173.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.7 m -67.52 -40.42 85.09 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.59 -43.8 83.91 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.399 -0.813 . . . . 0.0 111.565 171.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.19 -32.19 66.21 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.928 0.891 . . . . 0.0 112.125 171.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.3 -52.72 60.76 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.67 1.188 . . . . 0.0 111.815 176.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.472 0.627 0 O-C-N 121.885 -0.509 . . . . 0.0 111.652 176.584 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.6 m . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 t -65.27 -37.93 88.7 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.03 0.532 . . . . 0.0 112.123 175.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.8 -41.3 68.43 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.493 -0.754 . . . . 0.0 112.219 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -58.25 -51.11 71.13 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.143 0.977 . . . . 0.0 110.397 171.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.85 -22.06 66.92 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 117.855 -1.069 . . . . 0.0 113.778 173.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -74.4 -50.63 17.76 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 121.087 1.767 . . . . 0.0 112.477 174.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.23 84.99 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.154 0.888 . . . . 0.0 111.26 175.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.56 -47.23 86.35 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 118.338 -0.839 . . . . 0.0 111.09 171.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.0 t -57.38 -48.48 78.93 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.934 1.243 . . . . 0.0 111.993 174.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -39.76 88.79 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.536 1.062 . . . . 0.0 112.268 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.4 t -67.5 -55.55 13.08 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.886 0.874 . . . . 0.0 111.797 172.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.4 mt -61.2 -29.66 69.95 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.749 1.62 . . . . 0.0 113.195 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.51 -22.32 61.8 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.152 1.781 . . . . 0.0 113.861 172.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.6 t -103.23 -19.92 14.32 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.349 1.06 . . . . 0.0 112.899 174.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.1 m -66.32 79.46 0.1 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.693 1.997 . . . . 0.0 112.24 173.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.6 t -53.03 -35.77 59.81 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.559 -0.713 . . . . 0.0 112.042 173.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.44 -38.43 71.6 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 120.937 -1.102 . . . . 0.0 113.905 173.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.4 mm -69.11 -46.56 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.452 1.101 . . . . 0.0 109.761 174.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.2 t -59.48 -45.34 91.93 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.096 0.558 . . . . 0.0 112.46 177.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -66.77 -40.95 88.42 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.389 1.076 . . . . 0.0 112.44 175.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.55 -46.44 90.16 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.909 1.232 . . . . 0.0 111.983 173.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -70.43 -29.75 66.43 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 176.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.57 -22.56 40.63 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.388 0.994 . . . . 0.0 112.976 172.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.56 -37.49 84.03 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.191 1.396 . . . . 0.0 112.324 172.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.0 m -85.38 145.96 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 124.015 0.926 . . . . 0.0 111.407 175.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.3 m -121.07 -10.16 9.08 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.665 1.186 . . . . 0.0 113.88 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.0 m -104.31 143.47 32.93 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.946 1.298 . . . . 0.0 110.9 173.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.7 -41.01 89.78 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.428 0.691 . . . . 0.0 112.131 175.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.6 m -66.99 -30.21 70.26 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 171.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.0 -37.0 75.55 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 120.322 1.419 . . . . 0.0 112.006 174.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.28 -43.62 92.51 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.744 -0.597 . . . . 0.0 111.227 165.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -41.76 98.26 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 118.577 -0.725 . . . . 0.0 112.28 175.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.8 m -62.29 -43.41 98.9 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.935 1.294 . . . . 0.0 113.211 175.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -50.62 62.14 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.908 0.776 . . . . 0.0 110.108 175.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.34 -38.33 90.66 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.205 0.602 . . . . 0.0 110.627 -175.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -58.24 -56.41 22.39 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.404 1.481 . . . . 0.0 111.352 170.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -57.48 -40.23 78.13 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.449 HG23 ' HB2' ' A' ' 114' ' ' SER . 8.8 mt -68.06 -39.67 81.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 125.251 1.421 . . . . 0.0 111.638 172.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.91 -37.21 77.13 Favored Glycine 0 C--O 1.223 -0.551 0 C-N-CA 126.925 2.202 . . . . 0.0 113.363 174.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -57.91 -36.61 72.7 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.188 1.494 . . . . 0.0 112.297 171.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.5 t -70.65 -47.4 60.21 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 119.247 0.931 . . . . 0.0 111.771 177.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.32 -48.8 78.02 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.908 -0.495 . . . . 0.0 110.869 172.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.89 -45.52 86.31 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.216 1.406 . . . . 0.0 112.888 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -60.26 -47.57 85.44 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.498 1.119 . . . . 0.0 112.353 173.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 57.8 m -64.64 -25.29 67.89 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 176.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.3 mt -96.27 2.57 53.0 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.934 1.694 . . . . 0.0 112.75 176.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.61 32.11 64.6 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 125.563 1.554 . . . . 0.0 115.002 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.507 HG22 ' H ' ' A' ' 53' ' ' SER . 42.7 mm -59.62 129.42 21.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 124.862 1.265 . . . . 0.0 111.068 -177.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.83 8.43 4.6 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.099 1.36 . . . . 0.0 114.392 -178.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.507 ' H ' HG22 ' A' ' 51' ' ' ILE . 50.0 p -163.31 52.98 0.17 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 127.748 2.419 . . . . 0.0 109.867 -170.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.04 -35.58 47.6 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.983 -1.073 . . . . 0.0 112.08 -176.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.5 p -63.12 -36.64 84.27 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.854 2.062 . . . . 0.0 113.568 173.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.81 -39.47 43.66 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.297 1.039 . . . . 0.0 112.155 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -68.35 -48.82 63.81 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.536 1.062 . . . . 0.0 110.809 175.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.33 86.19 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.753 -0.592 . . . . 0.0 111.764 173.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.38 -47.2 86.88 Favored Glycine 0 CA--C 1.534 1.255 0 O-C-N 121.394 -0.816 . . . . 0.0 113.406 174.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.0 -41.44 97.49 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.42 -1.047 . . . . 0.0 112.41 177.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.484 HD13 HD12 ' A' ' 81' ' ' ILE . 0.4 OUTLIER -69.3 -35.05 75.61 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.437 -0.789 . . . . 0.0 111.903 174.342 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.03 91.65 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.257 -0.902 . . . . 0.0 111.263 174.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -63.99 -31.89 73.24 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 171.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.13 -48.6 73.0 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.144 0.884 . . . . 0.0 111.5 175.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.89 -40.04 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.42 0.688 . . . . 0.0 112.171 175.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.13 -18.72 65.22 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.766 1.174 . . . . 0.0 113.591 173.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.09 -42.18 92.12 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.172 1.368 . . . . 0.0 113.343 176.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.5 t -79.17 -47.22 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 117.852 0.826 . . . . 0.0 111.04 174.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.47 155.15 10.94 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 124.984 1.278 . . . . 0.0 114.678 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.94 140.4 58.84 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -173.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.27 -37.4 2.88 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 127.063 2.268 . . . . 0.0 113.938 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.78 176.84 0.83 Allowed 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 125.69 1.596 . . . . 0.0 114.113 171.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.1 t -67.66 147.54 52.55 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.054 -1.029 . . . . 0.0 112.578 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.05 -35.78 67.3 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.542 0.737 . . . . 0.0 112.986 171.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.2 m -62.69 -25.1 67.99 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 175.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.47 -39.58 64.8 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.902 1.228 . . . . 0.0 111.748 174.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.1 m-30 -68.72 -49.0 62.41 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.26 1.024 . . . . 0.0 111.129 175.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.4 -34.21 74.97 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.494 1.118 . . . . 0.0 112.0 176.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -60.2 -46.65 89.02 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.992 0.815 . . . . 0.0 112.062 166.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.82 -35.39 78.07 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.885 0.766 . . . . 0.0 112.218 177.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.484 HD12 HD13 ' A' ' 61' ' ' LEU . 3.0 mm -73.82 -43.44 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 118.877 0.762 . . . . 0.0 111.143 175.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.39 -32.78 73.64 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.992 0.917 . . . . 0.0 112.527 175.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -72.86 -44.84 60.88 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.413 1.485 . . . . 0.0 112.863 169.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.18 -43.12 82.99 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 120.212 1.369 . . . . 0.0 112.476 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.43 -42.88 70.97 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.588 0.755 . . . . 0.0 111.755 172.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.58 -50.38 67.65 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 124.235 0.922 . . . . 0.0 112.856 176.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -35.3 74.08 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 118.485 1.142 . . . . 0.0 111.747 175.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -64.18 -48.22 76.78 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.613 0.765 . . . . 0.0 111.117 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 48.8 mt -74.9 -31.3 61.53 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.816 0.846 . . . . 0.0 111.346 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.91 -49.15 71.56 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.971 1.309 . . . . 0.0 112.764 171.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.6 t -65.4 -32.69 74.45 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 119.028 0.831 . . . . 0.0 112.05 176.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -74.43 -7.18 52.09 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 171.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 61.08 19.24 56.65 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.544 1.068 . . . . 0.0 114.426 -175.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.7 t -67.15 -24.98 32.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.372 1.469 . . . . 0.0 111.129 171.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 28.6 mt -94.23 124.48 38.27 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.745 1.218 . . . . 0.0 111.061 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -133.36 152.32 51.91 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.821 1.648 . . . . 0.0 110.114 -175.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.24 -17.93 5.29 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.676 1.362 . . . . 0.0 114.676 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 48.2 t -45.53 -52.24 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 127.184 2.193 . . . . 0.0 111.948 171.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -170.61 27.36 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.559 1.544 . . . . 0.0 113.851 -177.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -50.81 -37.33 42.05 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 120.338 -1.477 . . . . 0.0 113.12 175.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.27 -64.41 0.84 Allowed 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 123.829 0.851 . . . . 0.0 110.268 170.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.1 m -63.25 -30.62 71.73 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -178.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 73.6 mt -62.99 -25.63 68.47 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.085 -1.009 . . . . 0.0 112.464 171.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.27 -38.78 91.24 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 123.707 0.67 . . . . 0.0 113.025 169.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.6 t -60.43 -37.71 81.76 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 122.229 -0.571 . . . . 0.0 111.802 172.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.38 -38.74 84.86 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.724 1.147 . . . . 0.0 112.816 176.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -68.59 -47.97 65.38 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.526 0.603 . . . . 0.0 111.312 174.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.86 -35.09 77.27 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 175.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -66.57 -38.65 87.53 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.106 0.962 . . . . 0.0 111.184 171.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.14 -47.88 82.6 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 118.971 0.805 . . . . 0.0 111.647 172.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 82.2 mt -59.0 -42.33 89.8 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.687 -0.633 . . . . 0.0 111.206 172.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.7 t -63.56 -43.82 95.93 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.543 1.137 . . . . 0.0 112.277 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -54.72 -51.47 65.49 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.818 0.847 . . . . 0.0 110.735 170.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.449 ' HB2' HG23 ' A' ' 41' ' ' ILE . 4.7 m -68.1 -34.28 76.1 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -74.91 -40.29 60.96 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 124.585 1.154 . . . . 0.0 112.153 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.98 -41.75 97.05 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.366 0.667 . . . . 0.0 110.954 168.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -69.36 -32.16 71.05 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 121.52 -0.737 . . . . 0.0 112.899 174.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.475 0.777 0 O-C-N 120.084 -1.635 . . . . 0.0 112.392 171.975 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.8 t . . . . . 0 N--CA 1.483 1.216 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -67.03 -32.83 74.31 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.831 -1.168 . . . . 0.0 113.232 171.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.99 -45.49 70.47 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 121.369 -0.832 . . . . 0.0 111.067 174.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.429 ' CD2' ' HA2' ' A' ' 104' ' ' GLY . 14.5 t80 -50.2 -52.43 35.74 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.084 0.554 . . . . 0.0 110.438 168.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.29 -23.8 67.58 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -68.29 -54.41 17.73 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 120.632 1.56 . . . . 0.0 112.527 174.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.0 -39.55 79.24 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.764 -0.585 . . . . 0.0 111.749 176.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.76 94.28 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 117.972 -1.014 . . . . 0.0 111.97 174.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 m -56.85 -47.39 80.47 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.988 1.267 . . . . 0.0 112.151 172.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.6 t -64.2 -45.82 86.64 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.453 1.024 . . . . 0.0 112.135 178.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.3 t -62.58 -49.56 74.78 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.598 1.159 . . . . 0.0 113.013 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.414 HD22 ' HB1' ' A' ' 78' ' ' ALA . 0.8 OUTLIER -68.38 -36.73 79.59 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.249 1.02 . . . . 0.0 111.959 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.51 -31.1 71.62 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 118.898 0.772 . . . . 0.0 112.26 174.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.23 -22.53 66.33 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.019 1.327 . . . . 0.0 113.079 167.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.2 t -100.53 79.76 2.14 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.02 1.328 . . . . 0.0 111.726 -177.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.4 t -55.63 -26.8 46.18 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.993 -1.067 . . . . 0.0 113.198 176.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.06 -34.85 72.43 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.043 -1.036 . . . . 0.0 113.759 171.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 51.3 mt -64.11 -48.03 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 119.04 0.836 . . . . 0.0 110.428 171.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.1 t -59.98 -47.81 84.3 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.594 -0.691 . . . . 0.0 112.597 176.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -61.56 -39.31 90.65 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 118.007 -0.997 . . . . 0.0 112.65 175.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.07 -45.7 79.24 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.804 1.184 . . . . 0.0 112.356 173.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -73.02 -32.06 64.87 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 177.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.97 -26.79 61.49 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 172.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.0 t -71.16 -42.49 69.04 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.671 1.189 . . . . 0.0 112.79 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.8 m -70.07 135.94 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 123.718 0.807 . . . . 0.0 110.815 172.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.3 p -121.31 16.71 11.44 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.523 1.529 . . . . 0.0 112.435 -178.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 t -139.14 138.26 36.84 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 127.244 2.218 . . . . 0.0 108.583 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.26 -38.45 83.56 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 119.34 -0.362 . . . . 0.0 110.79 174.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -42.71 99.57 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.835 0.854 . . . . 0.0 112.63 172.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.96 97.71 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.036 0.834 . . . . 0.0 111.896 176.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.84 -49.57 75.76 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.347 0.659 . . . . 0.0 111.773 172.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.6 m -55.5 -46.84 76.91 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 124.902 1.281 . . . . 0.0 111.722 176.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.6 m -72.02 -34.05 68.53 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 178.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.21 -52.35 65.18 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.062 -1.024 . . . . 0.0 109.577 169.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.565 ' HB1' HD11 ' A' ' 61' ' ' LEU . . . -66.47 -27.51 67.85 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.327 0.651 . . . . 0.0 112.52 178.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -62.94 -49.55 74.31 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.887 1.275 . . . . 0.0 111.171 167.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -61.34 -47.87 83.9 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 120.279 1.4 . . . . 0.0 112.747 175.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.6 mt -57.3 -44.79 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.318 1.047 . . . . 0.0 111.134 174.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.51 -37.98 69.04 Favored Glycine 0 C--O 1.222 -0.61 0 C-N-CA 126.035 1.779 . . . . 0.0 114.193 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.7 mt -62.66 -45.5 92.52 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.143 1.471 . . . . 0.0 110.955 172.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 t -64.74 -46.41 82.34 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.847 0.459 . . . . 0.0 111.736 176.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.46 -47.92 82.43 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.652 -0.655 . . . . 0.0 111.757 172.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.86 97.81 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.619 1.168 . . . . 0.0 113.405 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -62.18 -41.43 98.32 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.564 0.746 . . . . 0.0 112.546 172.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.8 m -65.86 -37.69 86.85 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.2 mt -79.44 -14.18 59.09 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.424 1.49 . . . . 0.0 113.41 176.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.08 29.49 45.93 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 125.217 1.389 . . . . 0.0 114.681 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 31.6 mm -65.5 130.84 31.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.537 1.535 . . . . 0.0 110.876 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.73 14.84 0.58 Allowed 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -177.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.46 ' HB3' ' HB3' ' A' ' 56' ' ' ALA . 0.5 OUTLIER -174.17 63.78 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 128.544 2.737 . . . . 0.0 108.506 -175.122 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 48.4 p-10 -49.03 -44.3 41.33 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.298 -0.877 . . . . 0.0 112.471 173.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 t -53.93 -38.99 65.46 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.446 1.498 . . . . 0.0 113.836 172.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.46 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -78.48 -41.5 32.41 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.223 -0.923 . . . . 0.0 112.475 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.435 HD23 ' C ' ' A' ' 57' ' ' LEU . 7.1 tt -59.9 -56.49 21.15 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.339 0.972 . . . . 0.0 109.721 171.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.65 -38.65 81.98 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.892 0.877 . . . . 0.0 111.6 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.17 -43.53 80.12 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 124.552 1.072 . . . . 0.0 113.445 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.86 97.8 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 118.765 1.282 . . . . 0.0 112.263 174.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.565 HD11 ' HB1' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -67.33 -41.58 85.04 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.739 1.216 . . . . 0.0 111.619 173.482 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.73 90.16 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.165 0.986 . . . . 0.0 111.408 173.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -59.04 -36.89 75.79 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.936 0.894 . . . . 0.0 112.627 173.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.96 -49.04 71.87 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.319 0.648 . . . . 0.0 111.763 173.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.7 t -57.29 -46.46 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.906 1.282 . . . . 0.0 112.261 175.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.66 -13.5 51.49 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.43 1.014 . . . . 0.0 114.787 171.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.29 -35.96 77.86 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 125.648 1.594 . . . . 0.0 113.645 177.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.1 t -76.6 -48.88 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-N 117.933 0.867 . . . . 0.0 111.05 173.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.92 166.3 42.06 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 124.713 1.149 . . . . 0.0 114.173 -177.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.38 148.46 37.15 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.473 1.109 . . . . 0.0 113.778 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.7 54.95 6.24 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 123.696 0.665 . . . . 0.0 113.068 177.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.35 171.62 14.01 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.407 1.483 . . . . 0.0 112.228 -177.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.3 t -63.2 146.47 53.3 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.429 0.691 . . . . 0.0 112.06 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.63 -39.98 86.1 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.707 -0.62 . . . . 0.0 111.979 171.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.5 m -61.64 -33.16 73.45 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-O 117.633 -1.175 . . . . 0.0 112.635 172.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.11 -49.4 67.66 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 121.258 1.845 . . . . 0.0 111.948 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -59.1 -47.21 86.08 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.031 0.532 . . . . 0.0 112.185 173.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.414 ' HB1' HD22 ' A' ' 15' ' ' LEU . . . -69.59 -27.8 65.41 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 178.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -62.23 -47.7 83.25 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.376 1.071 . . . . 0.0 109.559 169.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.15 -38.08 85.14 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.583 0.629 . . . . 0.0 112.122 176.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 80.9 mt -68.49 -48.68 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.045 0.938 . . . . 0.0 111.939 174.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.08 -37.48 87.66 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.921 0.888 . . . . 0.0 112.057 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -67.68 -40.3 84.43 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.849 1.26 . . . . 0.0 112.659 170.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.8 -47.78 61.55 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 120.356 1.434 . . . . 0.0 111.943 177.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.7 92.39 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 121.289 -0.882 . . . . 0.0 111.472 173.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.15 -51.95 53.21 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.462 1.029 . . . . 0.0 113.612 172.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -61.8 -36.47 81.22 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.513 1.657 . . . . 0.0 111.695 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -64.5 -47.22 79.72 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.33 0.652 . . . . 0.0 110.68 176.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.2 mt -69.5 -23.26 63.6 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 120.95 -1.094 . . . . 0.0 113.733 174.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.32 -47.85 63.24 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.461 1.028 . . . . 0.0 111.323 171.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 65.0 p -70.13 -29.9 66.94 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.597 0.759 . . . . 0.0 113.0 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -76.4 -5.91 49.36 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 168.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 62.54 24.89 66.49 Favored Glycine 0 CA--C 1.538 1.53 0 CA-C-N 119.509 1.05 . . . . 0.0 114.276 -177.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.1 t -79.02 -27.63 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.299 1.44 . . . . 0.0 111.474 174.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 95.3 mt -77.91 110.55 12.91 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.523 -0.735 . . . . 0.0 110.853 174.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -133.5 164.08 27.95 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.684 1.594 . . . . 0.0 111.214 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.18 -14.16 6.44 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 168.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 41.3 t -52.28 -49.75 40.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.916 1.687 . . . . 0.0 111.421 172.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 173.0 45.6 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.862 2.065 . . . . 0.0 113.641 -175.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.94 -33.4 66.97 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 119.373 -2.08 . . . . 0.0 114.609 177.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.1 t -68.58 -60.23 2.57 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.81 0.732 . . . . 0.0 111.083 167.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.42 -35.35 73.83 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 -175.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.28 -28.81 66.61 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.05 -1.031 . . . . 0.0 112.712 171.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.429 ' HA2' ' CD2' ' A' ' 7' ' ' PHE . . . -61.46 -35.06 90.49 Favored Glycine 0 CA--C 1.524 0.618 0 O-C-N 121.604 -0.685 . . . . 0.0 112.438 172.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.6 -39.47 91.33 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 117.463 0.632 . . . . 0.0 112.474 167.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.44 -43.6 96.92 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.509 1.049 . . . . 0.0 112.701 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.6 tt -70.17 -40.52 74.64 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.591 -0.693 . . . . 0.0 111.67 173.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.26 -36.15 77.12 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 120.707 -1.246 . . . . 0.0 112.861 173.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -67.37 -32.01 72.64 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 118.39 -0.814 . . . . 0.0 112.64 169.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.8 -43.4 88.83 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 120.143 1.338 . . . . 0.0 112.161 170.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 67.5 mt -66.73 -39.98 88.18 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.426 -0.796 . . . . 0.0 111.737 174.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.1 t -62.68 -42.63 99.73 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.604 1.162 . . . . 0.0 112.193 172.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -56.42 -52.38 64.87 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 118.6 -0.714 . . . . 0.0 110.477 170.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.2 m -62.85 -38.95 92.84 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 119.372 0.987 . . . . 0.0 113.519 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -71.73 -45.4 61.87 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.5 1.12 . . . . 0.0 112.683 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.58 -39.18 88.32 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.786 0.835 . . . . 0.0 111.534 173.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -62.69 -27.86 69.54 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.478 1.111 . . . . 0.0 112.707 168.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.544 0.725 0 CA-C-N 120.299 1.409 . . . . 0.0 111.841 177.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.8 p . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 m -63.81 -45.15 90.96 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.138 0.975 . . . . 0.0 112.635 174.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -72.37 -41.01 66.85 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.337 0.655 . . . . 0.0 111.74 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -56.83 -49.49 75.24 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.401 1.08 . . . . 0.0 110.412 171.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.28 -25.56 66.92 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 117.797 -1.097 . . . . 0.0 113.619 173.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -67.73 -52.34 38.65 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 121.204 1.82 . . . . 0.0 111.967 172.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.05 -41.39 82.12 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.36 0.982 . . . . 0.0 111.922 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.56 -51.56 68.89 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 118.427 -0.797 . . . . 0.0 110.755 175.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.3 t -57.55 -40.61 79.26 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.683 1.129 . . . . 0.0 112.182 173.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.5 t -56.65 -48.55 77.31 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.623 1.102 . . . . 0.0 111.863 176.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.1 m -72.05 -45.07 62.18 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 175.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.5 mt -62.62 -39.94 95.42 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.816 1.646 . . . . 0.0 112.359 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.11 -32.0 71.99 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.012 1.325 . . . . 0.0 112.735 173.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.65 -28.85 58.91 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.192 1.397 . . . . 0.0 112.309 170.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.3 t -86.17 77.76 9.51 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 125.461 1.504 . . . . 0.0 111.301 -174.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.2 m -53.34 -26.01 17.4 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.096 0.958 . . . . 0.0 113.572 176.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.1 -30.95 69.6 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 171.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.6 mm -76.61 -52.06 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.157 1.383 . . . . 0.0 110.054 173.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.7 m -56.82 -43.3 80.88 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.075 0.95 . . . . 0.0 112.068 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -36.13 72.22 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-O 117.76 -1.114 . . . . 0.0 112.336 175.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.67 -37.77 87.72 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.09 1.314 . . . . 0.0 111.595 175.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -68.03 -49.71 59.83 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.89 -0.506 . . . . 0.0 112.338 168.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.04 -18.49 63.4 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 120.143 1.338 . . . . 0.0 114.144 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 t -63.27 -23.43 67.42 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.051 1.74 . . . . 0.0 113.195 171.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.513 HG21 ' HB2' ' A' ' 34' ' ' ALA . 1.3 m -89.54 162.12 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 123.849 0.859 . . . . 0.0 112.001 177.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 m -124.03 4.16 8.65 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.938 1.295 . . . . 0.0 113.677 173.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 t -148.09 148.89 31.13 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.249 1.02 . . . . 0.0 111.96 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.23 -28.35 69.3 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.943 -0.473 . . . . 0.0 111.649 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -30.05 70.91 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 126.33 1.852 . . . . 0.0 113.19 172.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.11 -41.6 20.28 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.255 -0.903 . . . . 0.0 111.252 176.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.513 ' HB2' HG21 ' A' ' 28' ' ' VAL . . . -64.69 -38.92 92.65 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.558 170.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.9 p -65.14 -42.14 94.13 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 120.065 1.302 . . . . 0.0 110.844 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.7 t -61.45 -41.62 97.49 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.649 0.78 . . . . 0.0 112.592 171.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 mt -63.25 -52.85 60.43 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.239 0.927 . . . . 0.0 111.935 174.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.92 -34.08 69.48 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.404 1.482 . . . . 0.0 112.221 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -66.86 -53.85 28.28 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.951 0.901 . . . . 0.0 110.993 169.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -58.94 -47.94 83.26 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.473 1.509 . . . . 0.0 113.452 -177.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 pt -71.99 -25.78 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.721 1.208 . . . . 0.0 111.526 172.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.04 -41.78 99.57 Favored Glycine 0 C--N 1.335 0.528 0 C-N-CA 126.277 1.894 . . . . 0.0 112.687 172.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -57.87 -48.33 80.15 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 119.344 1.572 . . . . 0.0 110.887 169.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.3 m -62.69 -41.48 99.13 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.504 1.047 . . . . 0.0 113.118 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.61 -46.7 75.03 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.456 -0.777 . . . . 0.0 111.646 175.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.98 92.53 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.772 1.229 . . . . 0.0 112.138 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -62.53 -46.97 85.94 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.075 1.35 . . . . 0.0 112.257 172.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.3 m -61.17 -30.29 70.31 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.8 mt -95.97 6.71 48.23 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.526 1.531 . . . . 0.0 113.187 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 54.48 34.1 54.58 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 125.988 1.756 . . . . 0.0 115.355 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.429 HG22 ' H ' ' A' ' 53' ' ' SER . 50.3 mm -60.04 136.72 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 125.326 1.45 . . . . 0.0 111.233 -177.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.27 14.88 3.23 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.025 1.33 . . . . 0.0 114.167 -177.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.429 ' H ' HG22 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -170.93 58.86 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 127.384 2.273 . . . . 0.0 109.466 -173.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -52.79 -35.71 57.08 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 120.908 -1.12 . . . . 0.0 111.789 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.1 t -55.81 -44.96 78.34 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.927 1.691 . . . . 0.0 113.684 172.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.85 -40.54 63.21 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.319 -0.863 . . . . 0.0 111.537 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.49 -42.35 68.18 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 118.679 -0.677 . . . . 0.0 111.694 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.01 -41.21 67.73 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.806 1.243 . . . . 0.0 111.806 168.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -63.99 -34.06 88.93 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 124.768 1.175 . . . . 0.0 114.017 172.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.81 -45.56 89.07 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.268 1.534 . . . . 0.0 111.942 175.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -37.81 78.16 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.438 -0.789 . . . . 0.0 110.466 177.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.57 -43.0 99.66 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.886 0.875 . . . . 0.0 113.024 174.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -64.36 -37.0 85.97 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.947 1.299 . . . . 0.0 112.772 173.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.44 -52.52 45.54 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.803 0.841 . . . . 0.0 112.391 177.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.8 t -58.99 -48.61 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 C-N-CA 126.076 1.75 . . . . 0.0 111.813 175.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.85 -5.61 47.17 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.912 1.244 . . . . 0.0 114.279 173.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.44 -42.5 4.23 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 125.78 1.657 . . . . 0.0 112.351 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.1 t -72.16 -49.56 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 117.914 0.857 . . . . 0.0 111.489 172.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.55 166.99 28.6 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.683 1.135 . . . . 0.0 114.362 -177.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.91 157.76 31.15 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -176.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.75 -1.74 36.37 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.855 1.216 . . . . 0.0 114.371 -173.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.96 164.38 20.07 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.885 1.274 . . . . 0.0 112.454 173.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.9 t -66.64 148.91 51.25 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.02 0.528 . . . . 0.0 112.175 177.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.7 -28.44 68.64 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 170.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.9 m -66.11 -36.39 83.04 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.307 0.958 . . . . 0.0 112.387 171.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.48 -42.79 78.2 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.668 0.667 . . . . 0.0 111.433 174.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -63.45 -47.42 81.93 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.708 0.686 . . . . 0.0 112.537 171.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.12 -47.06 84.43 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.887 0.875 . . . . 0.0 111.664 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -62.74 -46.7 86.85 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 119.459 1.027 . . . . 0.0 111.959 172.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.09 -50.77 72.33 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 120.072 1.306 . . . . 0.0 111.107 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 75.8 mt -65.45 -46.16 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 124.404 1.081 . . . . 0.0 110.715 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.3 -26.99 66.8 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.255 0.934 . . . . 0.0 113.247 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -76.05 -39.0 56.47 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.373 1.069 . . . . 0.0 112.182 168.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.76 -50.46 35.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 121.037 1.744 . . . . 0.0 111.423 176.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.13 -43.81 92.02 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.836 1.254 . . . . 0.0 111.97 170.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -66.07 -44.46 91.31 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-O 118.989 -0.895 . . . . 0.0 113.007 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -62.5 -39.9 94.99 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.246 1.523 . . . . 0.0 111.715 171.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -64.06 -50.91 66.5 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.032 0.833 . . . . 0.0 111.047 177.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.6 mt -67.46 -29.09 68.45 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 120.468 -1.395 . . . . 0.0 112.767 177.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.33 -48.27 78.69 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.997 0.919 . . . . 0.0 112.398 169.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.1 p -69.65 -29.11 66.51 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.108 0.867 . . . . 0.0 113.035 176.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -72.23 -8.15 53.21 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 168.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 63.59 17.02 59.54 Favored Glycine 0 CA--C 1.538 1.477 0 O-C-N 121.029 -1.045 . . . . 0.0 114.119 -174.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.3 t -67.96 -27.61 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.935 1.294 . . . . 0.0 110.866 171.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.4 mt -92.17 133.08 36.12 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.223 1.009 . . . . 0.0 111.097 176.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -141.89 153.1 44.18 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.996 1.718 . . . . 0.0 109.775 -177.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.5 -14.04 7.0 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 174.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 49.6 t -48.67 -52.77 8.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 126.711 2.004 . . . . 0.0 111.938 170.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -172.66 30.0 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.552 1.541 . . . . 0.0 113.958 -176.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -50.68 -35.32 30.35 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.31 -1.494 . . . . 0.0 113.402 174.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.3 t -54.93 -64.01 0.97 Allowed 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 122.905 0.482 . . . . 0.0 110.928 170.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 44.2 m -60.32 -31.98 70.8 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 81.3 mt -62.96 -25.72 68.49 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.474 1.033 . . . . 0.0 112.885 171.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.07 -44.01 94.89 Favored Glycine 0 N--CA 1.466 0.694 0 C-N-CA 124.067 0.841 . . . . 0.0 112.986 169.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -36.35 82.54 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 172.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.84 98.75 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 119.042 0.837 . . . . 0.0 112.632 176.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.1 tt -70.8 -35.79 72.69 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.32 -0.863 . . . . 0.0 112.962 173.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.03 -36.26 83.81 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.139 -0.976 . . . . 0.0 112.687 173.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -64.54 -36.44 84.23 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.652 0.66 . . . . 0.0 111.459 169.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.77 -52.89 63.16 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.612 0.642 . . . . 0.0 111.243 172.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 68.1 mt -59.16 -35.64 73.88 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.132 0.878 . . . . 0.0 112.903 173.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.3 t -59.26 -49.73 76.7 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.099 0.96 . . . . 0.0 111.939 172.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -42.13 93.38 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 122.979 0.512 . . . . 0.0 112.23 171.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.1 m -65.73 -42.6 90.81 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -75.26 -34.72 61.4 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.163 0.985 . . . . 0.0 112.671 176.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.81 -38.05 89.67 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.377 -0.827 . . . . 0.0 111.135 168.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -64.13 -27.1 68.85 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.688 1.195 . . . . 0.0 113.211 170.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.7 m . . . . . 0 N--CA 1.476 0.856 0 CA-C-N 121.318 1.872 . . . . 0.0 112.581 173.286 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.4 m . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 121.226 0.536 . . . . 0.0 112.082 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -73.08 -33.54 65.69 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.2 p -64.33 -43.34 94.95 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.755 0.707 . . . . 0.0 112.535 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 m -65.25 -34.53 78.58 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 173.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.51 -46.11 60.58 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.362 0.665 . . . . 0.0 112.016 176.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -55.1 -48.46 73.54 Favored 'General case' 0 N--CA 1.466 0.375 0 C-N-CA 124.34 1.056 . . . . 0.0 111.086 170.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.0 -28.94 69.85 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 113.892 1.071 . . . . 0.0 113.892 175.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -65.88 -52.05 53.46 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-N 121.003 1.729 . . . . 0.0 111.797 172.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.49 -44.22 79.03 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 121.537 -0.727 . . . . 0.0 112.315 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.06 -48.74 77.81 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 123.312 0.645 . . . . 0.0 111.113 172.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.4 t -62.19 -41.16 98.09 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 118.338 -0.839 . . . . 0.0 111.918 176.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.4 t -54.46 -46.82 73.4 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.818 1.19 . . . . 0.0 112.132 176.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.7 m -75.0 -39.37 61.26 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.575 1.324 . . . . 0.0 114.575 174.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.8 mt -68.0 -32.85 73.54 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.94 1.246 . . . . 0.0 112.65 177.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.2 -32.28 64.7 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.155 0.982 . . . . 0.0 113.194 173.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.06 -12.42 59.32 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 118.871 0.76 . . . . 0.0 112.606 172.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 29.2 t -88.52 83.69 6.8 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.776 1.231 . . . . 0.0 111.95 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.3 m -53.99 -26.75 27.53 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 172.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.66 -36.26 83.15 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.403 1.002 . . . . 0.0 113.217 172.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.3 mm -72.52 -41.19 63.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.593 0.757 . . . . 0.0 110.367 174.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -59.39 -45.36 91.67 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 121.46 -0.775 . . . . 0.0 111.344 173.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.58 -38.98 93.2 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 117.872 -1.061 . . . . 0.0 113.624 172.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.4 -49.82 69.02 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 119.984 1.265 . . . . 0.0 112.019 171.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -72.21 -29.35 63.88 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 178.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.01 -26.86 39.67 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.486 1.039 . . . . 0.0 113.305 175.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 28.6 t -65.5 -48.38 72.79 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.762 0.825 . . . . 0.0 112.672 177.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.2 m -66.75 146.39 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 C-N-CA 123.447 0.699 . . . . 0.0 112.093 173.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.64 13.78 5.41 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.3 1.04 . . . . 0.0 113.518 -177.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.1 m -140.17 139.13 35.65 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.828 1.651 . . . . 0.0 109.654 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.86 -31.31 69.65 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 112.673 0.62 . . . . 0.0 112.673 178.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 42.3 m -73.44 -30.49 63.24 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 172.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.27 -40.04 67.93 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.154 -0.966 . . . . 0.0 110.198 171.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.4 -45.81 82.54 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.58 0.752 . . . . 0.0 112.697 174.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.1 p -65.5 -37.09 85.77 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 121.433 -0.792 . . . . 0.0 111.79 175.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.6 t -68.45 -37.97 80.71 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 119.507 1.049 . . . . 0.0 113.642 173.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -47.05 87.7 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 120.119 1.327 . . . . 0.0 110.186 169.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.38 -30.41 71.55 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.045 0.938 . . . . 0.0 112.544 177.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -68.85 -53.32 22.01 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 123.096 0.558 . . . . 0.0 110.866 170.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -59.59 -51.64 68.97 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.395 0.998 . . . . 0.0 112.733 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.459 ' CD1' HD22 ' A' ' 111' ' ' LEU . 2.3 pp -65.35 -29.31 46.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 118.584 0.629 . . . . 0.0 112.432 177.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.33 -40.41 55.26 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 124.867 1.223 . . . . 0.0 113.546 175.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 73.1 mt -60.6 -44.43 96.28 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.482 1.641 . . . . 0.0 111.267 171.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.8 m -61.23 -49.07 78.61 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.317 1.047 . . . . 0.0 111.859 175.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.12 -44.84 95.76 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 121.716 -0.615 . . . . 0.0 112.378 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.08 -41.94 97.57 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.091 1.356 . . . . 0.0 112.271 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 74.2 mtp85 -66.0 -42.55 89.59 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.598 0.759 . . . . 0.0 112.719 174.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 74.7 m -63.5 -34.46 77.82 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 173.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 78.3 mt -86.32 -14.32 43.95 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.685 1.194 . . . . 0.0 113.686 178.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.44 22.78 33.36 Favored Glycine 0 CA--C 1.54 1.651 0 C-N-CA 125.141 1.353 . . . . 0.0 116.433 172.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.448 HG22 ' H ' ' A' ' 53' ' ' SER . 1.4 mp -66.62 134.73 29.63 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 C-N-CA 125.487 1.515 . . . . 0.0 111.11 -174.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.92 0.89 22.42 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 114.62 1.341 . . . . 0.0 114.62 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.448 ' H ' HG22 ' A' ' 51' ' ' ILE . 7.3 t -149.99 57.81 0.97 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.537 1.135 . . . . 0.0 110.409 -174.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -52.76 -43.28 65.7 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 120.906 -1.121 . . . . 0.0 112.327 -172.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 41.3 p -59.46 -30.87 68.82 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.544 1.938 . . . . 0.0 114.122 175.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.05 -42.48 23.64 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 119.04 0.836 . . . . 0.0 112.421 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 9.6 tt -66.77 -49.52 65.65 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.568 1.076 . . . . 0.0 110.789 175.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.31 -34.56 75.44 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.321 0.648 . . . . 0.0 112.668 175.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -65.06 -40.61 97.13 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 124.934 1.254 . . . . 0.0 113.361 172.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.9 -39.77 94.94 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 118.613 1.207 . . . . 0.0 112.198 169.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.8 mt -65.44 -37.03 85.68 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 120.011 1.278 . . . . 0.0 112.679 173.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.85 -49.56 77.0 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.992 0.917 . . . . 0.0 110.766 173.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -65.14 -32.07 73.58 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.49 -51.42 63.07 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.543 1.065 . . . . 0.0 112.183 176.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 44.7 t -66.84 -42.1 88.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.137 0.975 . . . . 0.0 111.374 177.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.55 -21.78 65.14 Favored Glycine 0 CA--C 1.539 1.553 0 C-N-CA 123.378 0.513 . . . . 0.0 114.314 171.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.99 -34.67 82.44 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.135 1.35 . . . . 0.0 114.239 177.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 25.4 t -84.42 -37.07 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-N 117.874 0.837 . . . . 0.0 110.662 168.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.08 172.19 30.05 Favored Glycine 0 CA--C 1.542 1.725 0 C-N-CA 123.718 0.675 . . . . 0.0 113.852 -174.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.06 156.19 18.56 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 -176.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 74.61 51.23 8.37 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 123.944 0.783 . . . . 0.0 113.408 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -137.65 164.16 29.49 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.901 1.281 . . . . 0.0 113.378 -176.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.0 t -62.08 146.26 50.89 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.268 1.027 . . . . 0.0 112.814 177.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.23 -32.67 62.47 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 167.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.3 t -65.33 -38.83 91.35 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.54 0.609 . . . . 0.0 112.437 174.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.17 -48.38 73.68 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.362 -0.836 . . . . 0.0 112.082 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 67.9 m-85 -66.3 -43.63 85.74 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.737 -0.602 . . . . 0.0 112.049 175.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.69 98.21 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.588 0.755 . . . . 0.0 112.37 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -65.5 -41.93 92.67 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 118.583 -0.722 . . . . 0.0 111.3 174.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.11 -47.38 86.15 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.385 0.993 . . . . 0.0 112.381 175.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 68.7 mt -60.24 -49.11 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 123.502 0.721 . . . . 0.0 110.811 174.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.04 -28.31 67.29 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 118.505 -0.759 . . . . 0.0 112.672 -178.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.56 -35.22 60.69 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 120.21 1.368 . . . . 0.0 112.291 170.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -75.83 -47.49 25.42 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.098 0.863 . . . . 0.0 112.819 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -53.54 -47.56 69.89 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.071 0.549 . . . . 0.0 110.329 161.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -51.76 -49.44 47.41 Favored Glycine 0 CA--C 1.532 1.155 0 C-N-CA 124.208 0.909 . . . . 0.0 113.809 177.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -59.3 -43.98 92.56 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.558 1.179 . . . . 0.0 111.711 173.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -66.16 -46.21 78.22 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-N 118.83 0.741 . . . . 0.0 112.848 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 9.6 mp -69.74 -28.08 65.49 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.942 1.297 . . . . 0.0 111.588 177.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.3 -47.04 71.79 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 119.417 1.008 . . . . 0.0 111.873 169.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 41.2 p -67.13 -25.17 66.05 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-N 119.69 1.132 . . . . 0.0 113.203 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -78.45 -11.17 59.94 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.831 1.196 . . . . 0.0 113.852 169.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.76 12.94 71.39 Favored Glycine 0 CA--C 1.537 1.41 0 CA-C-N 119.06 0.845 . . . . 0.0 114.748 -173.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.4 t -65.48 -34.0 67.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.637 1.175 . . . . 0.0 111.317 172.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.3 mt -78.81 121.18 24.47 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 121.748 -0.595 . . . . 0.0 111.181 173.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 34.4 p30 -150.96 158.97 44.81 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 126.709 2.004 . . . . 0.0 111.818 -173.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.06 -10.84 24.53 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 120.656 -1.277 . . . . 0.0 114.432 -178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 36.4 t -56.61 -50.19 74.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 C-N-CA 124.756 1.222 . . . . 0.0 111.673 171.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -174.91 36.31 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -177.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -49.66 -32.87 14.12 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 120.578 -1.326 . . . . 0.0 114.145 173.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.4 t -59.72 -66.31 0.54 Allowed 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 122.768 0.427 . . . . 0.0 111.556 168.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.3 m -58.57 -27.99 65.13 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 114.91 1.448 . . . . 0.0 114.91 -176.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.4 -21.95 66.8 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-N 119.742 1.156 . . . . 0.0 113.469 172.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.95 -43.32 93.88 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 124.26 0.933 . . . . 0.0 112.651 169.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.4 m -59.63 -41.5 90.6 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 118.152 0.976 . . . . 0.0 111.728 167.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.89 -42.58 99.24 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.414 1.006 . . . . 0.0 112.686 177.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.89 -47.95 75.98 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.095 0.861 . . . . 0.0 111.289 172.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.08 -33.44 67.29 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.677 1.126 . . . . 0.0 113.123 176.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -67.25 -41.34 85.75 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 119.227 0.921 . . . . 0.0 112.225 171.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.11 -47.07 87.96 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.116 0.871 . . . . 0.0 112.7 171.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.459 HD22 ' CD1' ' A' ' 41' ' ' ILE . 56.1 mt -62.54 -37.46 86.18 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.534 0.734 . . . . 0.0 111.733 173.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 32.4 t -65.55 -45.09 84.74 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 124.021 0.928 . . . . 0.0 111.775 176.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -55.16 -46.91 75.77 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 118.536 0.607 . . . . 0.0 111.062 170.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 59.8 m -62.42 -41.41 98.67 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 176.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -75.19 -34.0 61.48 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.76 1.164 . . . . 0.0 113.167 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -65.09 -41.77 94.67 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 118.597 0.635 . . . . 0.0 111.223 165.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -58.37 -27.31 64.11 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.47 1.108 . . . . 0.0 113.457 172.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.0 m -57.69 -20.76 36.25 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 121.101 1.773 . . . . 0.0 114.058 171.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -74.01 -12.71 60.71 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 114.677 1.362 . . . . 0.0 114.677 170.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 78.5 t -59.6 -43.05 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 CA-C-N 119.77 1.168 . . . . 0.0 110.896 169.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.0 m -68.62 -23.44 64.44 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.985 0.914 . . . . 0.0 113.293 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 49.87 34.58 22.8 Favored Glycine 0 CA--C 1.538 1.51 0 C-N-CA 126.055 1.788 . . . . 0.0 116.238 173.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -147.79 -33.0 0.26 Allowed 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 177.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -66.04 -27.81 68.38 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.37 38.39 0.11 Allowed 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 125.756 1.622 . . . . 0.0 112.862 173.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 75.84 -37.26 1.25 Allowed Glycine 0 CA--C 1.538 1.485 0 C-N-CA 127.304 2.383 . . . . 0.0 115.225 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER 63.31 147.35 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 129.722 3.209 . . . . 0.0 114.981 -174.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -154.82 167.38 30.43 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.054 1.741 . . . . 0.0 111.669 178.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -139.58 31.35 2.08 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.369 1.467 . . . . 0.0 112.336 -178.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 . . . . . 0 C--O 1.248 0.981 0 C-N-CA 128.0 2.52 . . . . 0.0 110.597 178.459 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -78.61 -42.75 28.07 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.574 0.75 . . . . 0.0 112.29 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.8 p -65.1 -43.58 91.61 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.491 0.716 . . . . 0.0 112.088 177.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.4 m -64.59 -38.15 90.01 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.579 0.751 . . . . 0.0 112.859 174.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.47 -44.9 66.81 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 118.94 0.791 . . . . 0.0 112.102 177.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.447 ' CD1' HD21 ' A' ' 95' ' ' LEU . 58.5 t80 -58.37 -50.95 71.84 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.995 0.918 . . . . 0.0 110.691 172.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.59 -28.29 69.78 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-O 118.09 -0.957 . . . . 0.0 113.249 175.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -66.56 -54.42 23.82 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 121.169 1.804 . . . . 0.0 112.174 172.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.28 -38.53 85.21 Favored 'General case' 0 CA--C 1.534 0.342 0 O-C-N 121.719 -0.613 . . . . 0.0 111.792 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.77 -52.28 65.78 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 118.441 -0.79 . . . . 0.0 110.985 172.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 18.2 m -56.02 -41.08 74.39 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.257 0.935 . . . . 0.0 112.473 175.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.3 t -66.47 -50.33 63.66 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.193 0.906 . . . . 0.0 112.115 176.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.6 m -72.2 -15.75 61.95 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 114.96 1.467 . . . . 0.0 114.96 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 pp -96.42 -28.1 14.6 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-N 119.403 1.001 . . . . 0.0 112.468 170.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.7 -30.7 71.72 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.734 1.152 . . . . 0.0 111.817 174.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 46.1 p -78.45 1.82 20.92 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.812 1.245 . . . . 0.0 113.936 169.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.1 m -109.84 76.17 0.98 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 126.117 1.767 . . . . 0.0 110.832 178.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.5 m -52.07 -26.35 10.79 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 176.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.2 -37.57 87.74 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.721 1.008 . . . . 0.0 113.721 171.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.3 mt -64.6 -50.94 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 123.879 0.872 . . . . 0.0 109.449 172.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 52.0 m -60.42 -41.75 94.59 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -64.88 -42.63 94.65 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 117.724 -1.132 . . . . 0.0 112.711 172.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.6 -37.96 74.11 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 120.212 1.369 . . . . 0.0 112.017 176.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -75.17 -31.97 61.13 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 173.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.51 -28.65 52.17 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.52 1.055 . . . . 0.0 113.397 174.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.1 m -67.09 -33.18 74.93 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.447 1.499 . . . . 0.0 113.273 174.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 31.3 m -86.41 120.57 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 123.744 0.818 . . . . 0.0 111.548 175.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.3 m -124.69 30.27 6.0 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.609 1.564 . . . . 0.0 111.881 -178.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.5 m -144.84 137.66 26.49 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 126.985 2.114 . . . . 0.0 109.323 175.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -61.0 -35.6 77.27 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.1 m -68.25 -40.51 81.92 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.488 0.921 . . . . 0.0 113.488 171.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -65.66 -44.78 85.3 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 118.762 0.71 . . . . 0.0 111.101 175.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.6 -38.63 84.28 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.547 1.139 . . . . 0.0 112.295 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.4 t -52.92 -55.31 24.27 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.888 1.275 . . . . 0.0 110.768 166.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.8 t -63.48 -27.76 69.5 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 176.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.62 -54.91 13.55 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 120.839 -1.163 . . . . 0.0 110.482 174.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.403 ' HB2' HG21 ' A' ' 65' ' ' VAL . . . -63.45 -26.72 68.86 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.308 0.643 . . . . 0.0 112.478 173.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -65.27 -52.37 54.71 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 123.58 0.752 . . . . 0.0 110.743 168.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -64.97 -44.83 88.06 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 120.849 1.658 . . . . 0.0 113.019 177.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.486 ' HA ' ' HB3' ' A' ' 114' ' ' SER . 8.6 mt -60.94 -47.3 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.54 0 C-N-CA 124.033 0.933 . . . . 0.0 110.83 175.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.48 -38.71 95.1 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-O 118.698 -1.057 . . . . 0.0 113.397 176.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.73 -43.01 97.79 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 119.259 1.53 . . . . 0.0 111.747 175.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.8 t -71.93 -34.31 68.94 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.406 1.003 . . . . 0.0 111.905 -179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.78 -50.06 70.51 Favored 'General case' 0 CA--C 1.543 0.701 0 O-C-N 121.181 -0.949 . . . . 0.0 111.374 167.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.11 -47.79 82.18 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.734 1.214 . . . . 0.0 112.998 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 ptm85 -67.53 -38.67 84.58 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.404 0.682 . . . . 0.0 112.437 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.5 m -68.68 -27.83 66.32 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 123.987 0.915 . . . . 0.0 113.221 174.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.1 mt -90.18 -2.37 58.05 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 125.341 1.457 . . . . 0.0 113.375 171.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 65.69 30.28 76.98 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.406 1.479 . . . . 0.0 115.628 177.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.6 mm -56.6 135.09 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.986 1.315 . . . . 0.0 111.516 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.7 15.87 0.96 Allowed 'General case' 0 CA--C 1.553 1.093 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -175.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 m -173.26 65.21 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 129.104 2.962 . . . . 0.0 108.569 -176.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -54.59 -39.81 68.21 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 120.971 -1.081 . . . . 0.0 111.366 -178.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.3 t -54.82 -34.46 62.81 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.496 1.919 . . . . 0.0 114.397 172.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.03 -41.42 35.72 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.061 -1.025 . . . . 0.0 112.172 177.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.34 -55.82 18.62 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 118.418 0.553 . . . . 0.0 110.022 175.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.73 -38.25 77.98 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.993 1.317 . . . . 0.0 112.89 177.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -69.27 -42.47 75.0 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 124.393 0.997 . . . . 0.0 113.19 177.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.45 -37.93 88.34 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 118.818 1.309 . . . . 0.0 112.221 172.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.435 HD22 HG23 ' A' ' 81' ' ' ILE . 72.6 mt -64.7 -39.87 94.4 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.215 -0.928 . . . . 0.0 112.688 171.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.13 -43.32 98.71 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.528 1.131 . . . . 0.0 112.407 173.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -61.64 -36.97 82.3 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.891 1.276 . . . . 0.0 112.392 172.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.25 -49.17 70.67 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.538 0.735 . . . . 0.0 112.182 176.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.403 HG21 ' HB2' ' A' ' 38' ' ' ALA . 3.3 t -61.91 -45.67 98.19 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 123.624 0.769 . . . . 0.0 112.296 174.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.38 -15.2 51.53 Favored Glycine 0 CA--C 1.54 1.654 0 C-N-CA 123.857 0.741 . . . . 0.0 114.159 172.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -79.17 -32.15 40.17 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.569 1.557 . . . . 0.0 113.76 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.9 t -75.12 -50.41 24.73 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 118.511 1.155 . . . . 0.0 111.029 174.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 131.22 -159.6 23.13 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 124.672 1.129 . . . . 0.0 113.86 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -113.13 144.05 43.31 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.959 1.304 . . . . 0.0 111.469 173.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.44 14.28 82.12 Favored Glycine 0 CA--C 1.539 1.585 0 C-N-CA 124.072 0.844 . . . . 0.0 115.003 -177.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.71 174.72 6.43 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 118.619 1.209 . . . . 0.0 112.57 174.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.3 t -66.12 145.22 56.08 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.065 -1.022 . . . . 0.0 111.639 172.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -49.05 -43.45 40.84 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.848 0.859 . . . . 0.0 112.432 168.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.6 t -64.28 -29.19 70.29 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.148 0.796 . . . . 0.0 113.148 177.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.43 -45.01 61.57 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 120.803 -1.186 . . . . 0.0 112.286 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -60.41 -45.35 93.92 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.253 0.621 . . . . 0.0 111.833 170.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -62.26 -41.9 98.86 Favored 'General case' 0 N--CA 1.446 -0.674 0 C-N-CA 123.109 0.564 . . . . 0.0 112.424 178.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.6 t30 -67.21 -39.51 86.32 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.698 0.681 . . . . 0.0 111.07 175.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -57.41 -45.42 84.62 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.36 0.982 . . . . 0.0 112.057 172.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.435 HG23 HD22 ' A' ' 61' ' ' LEU . 60.7 mt -72.11 -46.19 59.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 123.637 0.775 . . . . 0.0 111.88 178.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.52 -37.22 86.81 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 119.323 0.965 . . . . 0.0 112.096 179.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 56.6 mtp180 -72.47 -42.64 64.72 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-O 117.451 -1.261 . . . . 0.0 112.252 170.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.96 -45.87 83.91 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 121.185 1.811 . . . . 0.0 112.38 178.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.76 -43.36 99.01 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.187 0.995 . . . . 0.0 111.98 170.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.91 -45.64 93.61 Favored Glycine 0 CA--C 1.526 0.76 0 C-N-CA 123.704 0.668 . . . . 0.0 113.183 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -62.78 -38.89 92.41 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 125.145 1.378 . . . . 0.0 111.523 171.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -62.31 -49.17 76.69 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 119.154 0.888 . . . . 0.0 111.197 173.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.6 mt -68.3 -22.9 64.69 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.507 -1.371 . . . . 0.0 113.375 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.79 -50.95 61.02 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 119.518 1.054 . . . . 0.0 111.521 167.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.2 p -71.15 -29.13 64.84 Favored 'General case' 0 N--CA 1.477 0.89 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 61.9 mm-40 -73.68 -9.36 58.59 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 167.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 67.36 19.58 70.7 Favored Glycine 0 CA--C 1.538 1.501 0 O-C-N 121.102 -0.999 . . . . 0.0 114.422 -176.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.2 t -73.75 -27.02 22.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 124.974 1.309 . . . . 0.0 111.487 173.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.447 HD21 ' CD1' ' A' ' 7' ' ' PHE . 70.3 mt -75.11 127.23 32.73 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 118.756 0.707 . . . . 0.0 111.652 169.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -141.58 143.51 33.75 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.365 1.866 . . . . 0.0 108.859 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -57.48 -15.39 6.82 Favored 'General case' 0 CA--C 1.552 1.022 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 41.6 t -49.34 -45.71 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 126.415 1.886 . . . . 0.0 112.066 167.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -165.81 26.41 0.05 OUTLIER 'General case' 0 CA--C 1.551 0.992 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -175.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -51.03 -37.8 47.51 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 120.154 -1.591 . . . . 0.0 113.377 179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.47 -64.09 1.06 Allowed 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 123.473 0.709 . . . . 0.0 111.063 168.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.2 t -60.03 -29.04 68.24 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -174.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 66.8 mt -62.59 -23.68 67.16 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 120.242 -1.536 . . . . 0.0 113.431 169.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -61.33 -41.96 99.65 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 124.099 0.857 . . . . 0.0 112.192 168.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.0 t -61.73 -44.25 97.28 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 117.459 0.63 . . . . 0.0 111.431 169.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -57.86 -46.26 85.06 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.277 0.944 . . . . 0.0 113.483 178.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.75 -44.27 70.55 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.499 -0.75 . . . . 0.0 111.168 175.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.97 -33.62 72.19 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 120.608 -1.307 . . . . 0.0 113.452 175.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -66.84 -39.41 87.62 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 119.072 0.851 . . . . 0.0 111.432 171.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.46 -53.23 60.65 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 118.646 0.657 . . . . 0.0 111.23 170.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.404 HD22 HG22 ' A' ' 41' ' ' ILE . 57.2 mt -60.85 -31.29 70.74 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.01 0.924 . . . . 0.0 113.154 176.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 32.7 t -68.85 -45.53 70.84 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.292 1.037 . . . . 0.0 111.89 175.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -57.61 -41.94 82.26 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 118.333 0.515 . . . . 0.0 111.311 167.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.486 ' HB3' ' HA ' ' A' ' 41' ' ' ILE . 4.0 m -61.63 -42.32 98.73 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 175.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -71.66 -42.14 67.88 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.315 1.046 . . . . 0.0 112.322 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.42 -39.63 88.1 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.565 0.746 . . . . 0.0 111.74 171.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 18.1 t30 -69.55 -36.19 76.11 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.823 0.849 . . . . 0.0 113.107 171.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.6 t -56.99 -46.22 82.4 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.035 -1.041 . . . . 0.0 110.737 173.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.01 -13.43 16.37 Favored 'General case' 0 CA--C 1.552 1.046 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 170.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -88.23 -23.31 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 124.993 1.317 . . . . 0.0 112.84 174.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 24.9 t -68.02 -17.13 64.32 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.028 1.331 . . . . 0.0 114.069 178.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 74.03 -30.88 0.94 Allowed Glycine 0 N--CA 1.478 1.499 0 C-N-CA 125.402 1.477 . . . . 0.0 114.192 -176.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -58.04 -15.6 9.82 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.042 1.337 . . . . 0.0 113.482 168.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -55.33 -34.39 64.18 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.496 1.119 . . . . 0.0 113.981 173.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -98.45 8.93 44.23 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.336 1.054 . . . . 0.0 113.088 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 66.08 54.35 24.84 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 123.817 0.722 . . . . 0.0 112.549 -175.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 9.8 p -44.6 144.48 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 C-N-CA 125.972 1.709 . . . . 0.0 113.388 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 44.5 m 59.93 65.81 1.06 Allowed 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 125.947 1.699 . . . . 0.0 113.205 -167.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -91.6 40.72 1.04 Allowed 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 124.891 1.276 . . . . 0.0 113.522 -177.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 42.2 t30 . . . . . 0 C--O 1.254 1.321 0 O-C-N 120.793 -1.192 . . . . 0.0 112.521 -179.363 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t . . . . . 0 CA--C 1.547 0.843 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -133.88 -50.14 0.83 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.571 1.549 . . . . 0.0 110.194 -178.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.2 m -65.75 -40.26 91.9 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.603 1.161 . . . . 0.0 112.257 174.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 m -65.26 -35.36 80.8 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.583 0.753 . . . . 0.0 112.049 174.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.452 ' HB1' ' HB3' ' A' ' 101' ' ' SER . . . -70.5 -43.54 69.48 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.648 0.779 . . . . 0.0 111.513 177.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -56.87 -48.31 78.42 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.127 0.971 . . . . 0.0 110.832 170.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.18 -33.5 74.64 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 174.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -61.74 -53.22 58.93 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 120.623 1.556 . . . . 0.0 112.265 176.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.46 -41.23 80.53 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.817 0.735 . . . . 0.0 112.07 178.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.61 -51.66 68.86 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 119.281 -0.39 . . . . 0.0 111.326 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 68.2 m -62.29 -34.09 75.91 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 118.073 -0.965 . . . . 0.0 113.015 173.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 m -58.24 -46.41 86.0 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 120.788 1.631 . . . . 0.0 112.037 171.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.8 t -70.44 -52.14 24.37 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.337 0.517 . . . . 0.0 111.489 174.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.8 mt -61.34 -32.4 72.28 Favored 'General case' 0 CA--C 1.549 0.908 0 O-C-N 120.393 -1.442 . . . . 0.0 113.387 -177.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.53 -25.7 61.48 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 124.504 1.122 . . . . 0.0 113.656 172.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -86.97 -20.32 27.46 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.176 0.991 . . . . 0.0 112.389 173.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.8 m -88.86 80.35 7.16 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.301 1.841 . . . . 0.0 111.845 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.8 m -54.39 -26.83 32.56 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 120.766 -1.209 . . . . 0.0 114.018 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.52 -27.98 51.98 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.052 1.131 . . . . 0.0 114.052 172.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.49 HD11 ' HA ' ' A' ' 112' ' ' SER . 26.3 mm -73.64 -45.29 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.677 0 C-N-CA 124.879 1.271 . . . . 0.0 110.574 175.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.439 ' HA ' ' HB2' ' A' ' 74' ' ' ALA . 29.8 t -56.61 -44.64 81.36 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 123.159 0.584 . . . . 0.0 111.289 171.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -62.02 -44.36 96.88 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.971 1.308 . . . . 0.0 112.679 176.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.25 -43.66 95.95 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 118.98 0.809 . . . . 0.0 112.429 174.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -79.05 -22.16 45.76 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.893 1.442 . . . . 0.0 114.893 177.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.3 -23.86 27.94 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.815 1.246 . . . . 0.0 112.89 174.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.8 t -56.09 -44.68 79.26 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.098 0.959 . . . . 0.0 111.576 168.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.9 m -83.43 144.98 9.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 C-N-CA 123.827 0.851 . . . . 0.0 111.719 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 45.0 m -124.98 17.53 8.52 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.601 1.56 . . . . 0.0 112.163 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.7 t -138.01 140.16 40.01 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.243 1.417 . . . . 0.0 110.352 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.25 -43.35 98.27 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 122.844 0.457 . . . . 0.0 110.677 -177.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.4 m -60.23 -36.9 78.77 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 172.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.94 -42.32 85.5 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 119.281 0.946 . . . . 0.0 111.713 175.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.3 -42.8 96.18 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.139 0.575 . . . . 0.0 112.105 172.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 73.5 m -57.32 -48.53 78.72 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 124.627 1.171 . . . . 0.0 111.843 173.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.5 m -66.24 -31.44 72.27 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.931 0.893 . . . . 0.0 113.342 175.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mt -65.11 -51.74 59.53 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.715 1.143 . . . . 0.0 110.999 171.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.61 -33.47 68.26 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.345 1.058 . . . . 0.0 112.22 174.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.421 ' HA ' ' HB1' ' A' ' 58' ' ' ALA . 14.0 t80 -67.88 -51.32 49.42 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.893 0.877 . . . . 0.0 111.892 172.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -58.96 -52.34 66.18 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.555 1.142 . . . . 0.0 112.572 178.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.7 pt -69.94 -33.4 55.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 O-C-N 121.829 -0.545 . . . . 0.0 111.683 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -65.33 -41.77 96.45 Favored Glycine 0 CA--C 1.526 0.735 0 C-N-CA 125.13 1.348 . . . . 0.0 112.541 174.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mp -60.03 -41.96 93.35 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.994 1.397 . . . . 0.0 112.329 171.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 39.3 t -64.05 -50.16 69.5 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 118.739 0.7 . . . . 0.0 111.754 175.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.12 -43.5 95.57 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.596 -0.69 . . . . 0.0 112.29 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.9 -40.32 94.91 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.502 1.121 . . . . 0.0 112.744 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -62.25 -43.57 98.53 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.066 0.946 . . . . 0.0 111.993 171.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.8 m -64.0 -30.01 71.12 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 173.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.4 mt -93.62 5.65 50.91 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 125.672 1.589 . . . . 0.0 113.232 176.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 58.52 29.95 64.49 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 125.653 1.597 . . . . 0.0 115.3 177.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.441 HG22 ' H ' ' A' ' 53' ' ' SER . 44.3 mm -60.53 136.0 24.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 125.374 1.469 . . . . 0.0 111.318 -176.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.12 11.57 2.73 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 -175.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.441 ' H ' HG22 ' A' ' 51' ' ' ILE . 1.6 m -175.17 68.23 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 129.044 2.938 . . . . 0.0 108.82 -176.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -51.31 -41.79 60.75 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 121.227 -0.92 . . . . 0.0 111.209 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.2 p -60.5 -29.53 69.15 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 127.915 2.486 . . . . 0.0 114.479 177.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.53 -40.94 15.76 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 119.358 0.981 . . . . 0.0 111.803 175.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -57.66 11.86 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.895 0.878 . . . . 0.0 109.721 174.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.421 ' HB1' ' HA ' ' A' ' 39' ' ' TYR . . . -69.17 -27.49 65.57 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.401 1.48 . . . . 0.0 112.987 178.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -63.87 -42.25 98.48 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 124.187 0.899 . . . . 0.0 112.486 171.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.9 -40.31 95.0 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 117.966 0.883 . . . . 0.0 111.937 170.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 32.2 mt -66.27 -40.48 90.15 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.82 0.737 . . . . 0.0 112.68 175.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.58 -48.86 79.89 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.218 1.007 . . . . 0.0 111.269 173.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -65.87 -28.81 69.24 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 113.489 0.922 . . . . 0.0 113.489 175.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -69.77 -48.15 60.3 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.313 0.96 . . . . 0.0 112.123 173.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 15.6 t -64.71 -49.69 79.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 124.821 1.248 . . . . 0.0 112.224 177.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.46 -19.05 68.4 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 123.772 0.701 . . . . 0.0 113.69 173.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -68.23 -37.94 87.17 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 125.482 1.515 . . . . 0.0 113.571 178.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.3 t -76.4 -48.4 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 117.97 0.885 . . . . 0.0 110.837 172.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 118.43 179.16 17.06 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 125.232 1.396 . . . . 0.0 113.652 178.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -72.08 155.89 39.8 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.577 -0.955 . . . . 0.0 112.748 174.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 68.33 9.19 57.33 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.216 0.912 . . . . 0.0 115.022 177.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.99 166.32 16.06 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 118.343 1.072 . . . . 0.0 111.89 173.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 32.7 t -67.94 151.06 47.72 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.512 -0.743 . . . . 0.0 111.636 174.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.439 ' HB2' ' HA ' ' A' ' 22' ' ' SER . . . -54.02 -40.53 67.12 Favored 'General case' 0 C--O 1.225 -0.186 0 C-N-CA 123.374 0.67 . . . . 0.0 112.211 168.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.8 t -62.13 -36.69 82.54 Favored 'General case' 0 C--O 1.224 -0.279 0 C-N-CA 123.347 0.659 . . . . 0.0 111.856 174.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.73 -46.38 72.33 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.654 1.116 . . . . 0.0 112.259 175.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -64.26 -47.67 78.69 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.131 0.878 . . . . 0.0 112.442 175.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -63.36 -42.49 98.88 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.425 1.09 . . . . 0.0 112.342 178.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -64.53 -44.34 91.15 Favored 'General case' 0 C--O 1.223 -0.321 0 CA-C-N 119.397 0.999 . . . . 0.0 111.201 172.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -59.69 -43.59 93.98 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.293 0.951 . . . . 0.0 111.325 177.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 54.7 mt -64.76 -48.12 85.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 C-N-CA 124.386 1.074 . . . . 0.0 111.694 171.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.82 -31.11 71.88 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 119.382 0.992 . . . . 0.0 112.953 -178.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 13.4 mmm-85 -80.64 -36.92 31.88 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.711 1.604 . . . . 0.0 112.203 171.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.89 -52.83 25.34 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 120.447 1.476 . . . . 0.0 111.291 174.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.35 -44.62 88.85 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 124.555 1.142 . . . . 0.0 111.598 169.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.07 -50.77 62.17 Favored Glycine 0 CA--C 1.524 0.613 0 CA-C-O 119.172 -0.794 . . . . 0.0 112.913 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -63.17 -42.1 99.34 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.759 1.279 . . . . 0.0 111.954 174.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -63.2 -52.06 63.81 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.819 1.19 . . . . 0.0 111.166 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 38.3 mt -67.57 -26.94 66.53 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 120.391 -1.443 . . . . 0.0 112.58 178.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.35 -47.58 70.0 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.379 0.991 . . . . 0.0 112.591 168.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 64.1 p -69.13 -28.82 66.8 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-N 119.249 0.931 . . . . 0.0 112.859 177.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 75.2 mm-40 -75.52 -10.14 59.18 Favored 'General case' 0 CA--C 1.545 0.755 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 167.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 62.26 22.6 63.33 Favored Glycine 0 CA--C 1.539 1.572 0 O-C-N 121.1 -1.0 . . . . 0.0 114.344 -174.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 3.9 t -66.99 -37.16 78.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.775 1.23 . . . . 0.0 110.989 173.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 pp -95.31 155.52 16.7 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.567 1.147 . . . . 0.0 111.497 170.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -148.71 152.69 37.07 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.809 1.644 . . . . 0.0 108.812 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.57 -20.13 2.78 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 -179.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 58.1 t -42.93 -48.54 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 127.234 2.214 . . . . 0.0 112.586 166.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -160.36 24.44 0.16 Allowed 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.175 1.39 . . . . 0.0 113.409 -176.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.22 -39.41 63.74 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 120.61 -1.306 . . . . 0.0 112.68 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.452 ' HB3' ' HB1' ' A' ' 6' ' ' ALA . 14.0 p -63.49 -58.62 6.44 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 117.909 0.322 . . . . 0.0 110.77 171.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.37 -37.14 64.62 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 114.832 1.419 . . . . 0.0 114.832 -179.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 47.0 mt -68.23 -23.1 64.77 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 120.989 -1.069 . . . . 0.0 113.662 174.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.56 -47.04 91.13 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 123.653 0.644 . . . . 0.0 111.845 167.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.1 m -62.88 -37.33 86.45 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 117.673 0.736 . . . . 0.0 112.661 170.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.2 -47.03 84.26 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-N 119.735 1.152 . . . . 0.0 112.886 177.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.4 tt -66.27 -40.88 90.44 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.32 -0.863 . . . . 0.0 111.876 171.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -62.68 -34.81 77.89 Favored 'General case' 0 C--O 1.224 -0.25 0 O-C-N 121.423 -0.798 . . . . 0.0 112.262 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -66.31 -37.78 86.19 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.092 0.86 . . . . 0.0 111.859 170.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.35 -47.04 80.87 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 119.43 1.014 . . . . 0.0 112.568 174.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 73.0 mt -67.32 -33.22 74.81 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.456 -0.778 . . . . 0.0 112.174 172.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.49 ' HA ' HD11 ' A' ' 21' ' ' ILE . 21.0 t -64.05 -46.11 85.83 Favored 'General case' 0 C--O 1.222 -0.346 0 CA-C-O 118.43 -0.795 . . . . 0.0 111.721 174.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -58.68 -33.53 70.24 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 119.662 1.119 . . . . 0.0 112.91 171.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 7.3 t -78.74 -43.06 26.54 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.535 1.134 . . . . 0.0 113.254 -177.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.56 -44.73 81.53 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.133 -0.979 . . . . 0.0 111.47 168.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.85 -27.32 66.56 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.366 1.066 . . . . 0.0 112.651 172.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.28 -54.99 24.55 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 119.736 1.153 . . . . 0.0 111.876 175.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.5 t -64.39 -41.19 96.8 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 117.738 0.244 . . . . 0.0 110.803 174.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.99 -25.8 67.13 Favored 'General case' 0 CA--C 1.549 0.941 0 N-CA-C 114.428 1.27 . . . . 0.0 114.428 174.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.98 -27.83 40.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 O-C-N 120.973 -1.079 . . . . 0.0 112.603 174.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.0 m -63.44 -19.65 64.89 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.037 0.935 . . . . 0.0 113.118 177.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 75.36 -44.9 1.71 Allowed Glycine 0 CA--C 1.531 1.089 0 C-N-CA 125.848 1.69 . . . . 0.0 113.193 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -63.67 3.35 0.36 Allowed 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.153 1.381 . . . . 0.0 114.611 166.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -53.29 -37.97 62.69 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.79 1.236 . . . . 0.0 113.046 174.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.18 30.77 0.45 Allowed 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 125.471 1.509 . . . . 0.0 112.849 177.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 88.42 -48.03 3.53 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 126.391 1.948 . . . . 0.0 112.612 -173.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 5.4 p -160.81 150.39 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.345 1.458 . . . . 0.0 111.21 175.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 8.3 t -158.68 168.15 27.65 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.647 1.179 . . . . 0.0 111.713 170.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.7 tm0? -149.48 87.86 1.53 Allowed 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.814 1.645 . . . . 0.0 109.716 175.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 . . . . . 0 C--O 1.253 1.282 0 C-N-CA 126.198 1.799 . . . . 0.0 113.112 -179.564 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.2 m . . . . . 0 N--CA 1.472 0.648 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -127.26 57.28 1.49 Allowed 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 125.198 1.399 . . . . 0.0 110.469 -174.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.2 p -55.62 -33.68 64.22 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.31 -0.869 . . . . 0.0 113.102 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.2 m -63.53 -39.47 94.5 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.046 0.939 . . . . 0.0 112.924 173.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.67 -42.56 58.25 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.506 0.722 . . . . 0.0 111.186 178.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -54.41 -49.28 70.3 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.984 0.914 . . . . 0.0 110.607 170.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.08 -22.12 66.91 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 173.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.02 -50.37 49.34 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 121.296 1.862 . . . . 0.0 111.115 172.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.58 -38.09 67.99 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 122.899 0.48 . . . . 0.0 110.391 -178.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.83 -49.84 76.2 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 117.549 -1.215 . . . . 0.0 111.391 168.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.3 m -57.1 -41.48 79.0 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 121.022 1.737 . . . . 0.0 112.837 173.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 9.7 t -59.81 -46.61 88.67 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 119.267 0.94 . . . . 0.0 111.89 178.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.0 m -69.54 -50.3 46.26 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.713 0.635 . . . . 0.0 112.713 173.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.91 -36.33 81.04 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.508 1.523 . . . . 0.0 113.049 -175.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -70.3 -25.77 63.48 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 123.841 0.857 . . . . 0.0 112.997 172.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -81.29 -32.17 33.28 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 125.775 1.63 . . . . 0.0 112.289 171.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.9 m -67.13 72.19 0.1 Allowed 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 127.539 2.336 . . . . 0.0 112.385 176.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.3 t -53.01 -32.57 47.36 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.407 1.083 . . . . 0.0 112.895 177.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.22 -39.85 84.01 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 170.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 60.4 mt -74.66 -46.26 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.442 1.097 . . . . 0.0 110.555 176.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.4 m -60.01 -42.6 94.67 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 118.828 0.74 . . . . 0.0 112.487 176.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.4 mtm-85 -70.23 -35.96 74.19 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 117.487 -1.244 . . . . 0.0 113.158 173.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.95 -44.39 94.42 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 120.718 1.599 . . . . 0.0 111.733 171.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -66.69 -35.05 79.23 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 174.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.0 -27.6 54.73 Favored 'General case' 0 CA--C 1.549 0.935 0 CA-C-N 119.233 0.924 . . . . 0.0 113.184 174.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.0 t -68.53 -42.28 78.71 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 125.476 1.51 . . . . 0.0 112.163 176.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.4 m -74.75 141.78 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 CA-C-O 121.482 0.658 . . . . 0.0 112.272 174.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.4 m -127.86 18.77 6.67 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.254 1.422 . . . . 0.0 112.468 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.0 m -142.79 139.13 30.85 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 126.116 1.766 . . . . 0.0 110.306 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.35 -36.15 75.2 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.325 0.65 . . . . 0.0 112.219 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.96 -27.25 63.6 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.171 1.175 . . . . 0.0 114.171 172.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.11 -42.31 60.26 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 120.827 -1.17 . . . . 0.0 110.648 174.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.32 -45.61 93.71 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.987 -0.445 . . . . 0.0 111.882 169.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 9.3 p -64.71 -38.27 90.43 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 119.136 0.88 . . . . 0.0 111.765 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.1 t -63.89 -44.65 92.38 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.522 1.129 . . . . 0.0 112.534 173.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.57 -46.85 84.0 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.461 1.028 . . . . 0.0 110.763 174.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.85 -31.69 72.76 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.397 1.079 . . . . 0.0 112.548 177.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 39.4 t80 -72.11 -46.11 57.97 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.096 0.958 . . . . 0.0 111.51 172.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 -59.71 -54.22 48.84 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 119.262 0.937 . . . . 0.0 112.513 175.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.8 pt -69.15 -30.09 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 O-C-N 121.672 -0.642 . . . . 0.0 111.588 177.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -69.18 -40.13 82.42 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 124.57 1.081 . . . . 0.0 112.594 177.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mp -58.58 -48.94 79.27 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 124.822 1.249 . . . . 0.0 111.126 169.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.0 t -63.84 -41.5 97.8 Favored 'General case' 0 N--CA 1.47 0.551 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 177.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.99 -48.01 75.51 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.693 0.797 . . . . 0.0 111.148 176.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.57 -41.18 97.02 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.561 1.144 . . . . 0.0 112.621 177.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -63.27 -44.34 95.38 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 119.448 1.022 . . . . 0.0 112.734 171.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 23.1 t -64.44 -42.02 96.24 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.068 0.947 . . . . 0.0 112.475 179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.5 mt -75.59 -27.68 58.63 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.659 1.584 . . . . 0.0 113.522 176.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.89 27.19 8.48 Favored Glycine 0 CA--C 1.54 1.601 0 C-N-CA 125.159 1.362 . . . . 0.0 115.531 174.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.521 HG22 ' H ' ' A' ' 53' ' ' SER . 1.8 mp -68.34 132.26 32.92 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 125.123 1.369 . . . . 0.0 110.4 -179.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.76 12.23 1.13 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 126.118 1.767 . . . . 0.0 115.188 -178.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.521 ' H ' HG22 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -165.65 52.72 0.1 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.418 1.887 . . . . 0.0 110.374 -171.759 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.3 p-10 -49.83 -41.88 45.91 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.996 -1.065 . . . . 0.0 113.229 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.4 p -61.43 -29.65 70.08 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.351 1.46 . . . . 0.0 114.445 174.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -86.37 -39.89 15.97 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.262 0.937 . . . . 0.0 112.018 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.41 -58.27 9.19 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.319 1.047 . . . . 0.0 109.638 174.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.11 -29.38 69.69 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.305 1.042 . . . . 0.0 112.462 177.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -63.44 -46.87 91.59 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 123.877 0.751 . . . . 0.0 112.392 172.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.4 -40.34 96.18 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 121.803 -0.822 . . . . 0.0 112.131 172.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 61.1 mt -62.58 -42.65 99.68 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.004 0.82 . . . . 0.0 112.35 173.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.7 -43.6 97.57 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.563 1.145 . . . . 0.0 112.011 176.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -68.92 -36.63 78.21 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 174.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.54 -44.05 97.29 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 119.014 0.824 . . . . 0.0 112.313 173.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.5 t -60.02 -48.53 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 C-N-CA 125.392 1.477 . . . . 0.0 111.533 172.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -58.31 -24.39 55.51 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 123.797 0.713 . . . . 0.0 114.147 173.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -70.64 -30.07 68.99 Favored Glycine 0 CA--C 1.538 1.504 0 C-N-CA 125.21 1.386 . . . . 0.0 114.479 174.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 67.5 t -79.76 -48.63 20.44 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 118.559 1.179 . . . . 0.0 111.157 175.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.42 162.55 31.43 Favored Glycine 0 CA--C 1.539 1.571 0 C-N-CA 124.577 1.084 . . . . 0.0 114.653 -176.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.55 160.07 32.2 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 -173.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.06 -10.53 9.54 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.213 1.387 . . . . 0.0 114.404 -174.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.27 160.29 16.1 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.659 1.184 . . . . 0.0 111.895 169.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.0 t -59.65 149.35 30.71 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.424 0.69 . . . . 0.0 112.261 177.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -55.05 -36.51 65.63 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 121.841 -0.537 . . . . 0.0 111.574 167.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 m -61.35 -34.54 75.45 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 172.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -69.62 -46.77 65.48 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 120.33 1.423 . . . . 0.0 111.811 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -63.7 -49.23 73.92 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 122.957 0.503 . . . . 0.0 112.307 173.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -59.59 -43.44 93.69 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.289 1.036 . . . . 0.0 111.698 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -62.2 -45.98 90.97 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-O 118.032 -0.985 . . . . 0.0 111.851 172.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.65 -39.24 90.63 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 120.293 1.406 . . . . 0.0 112.817 178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 53.8 mt -67.18 -45.46 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 123.609 0.764 . . . . 0.0 111.158 172.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.66 -34.45 77.12 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 119.172 0.896 . . . . 0.0 112.681 175.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -66.92 -42.62 85.06 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 126.022 1.729 . . . . 0.0 111.653 168.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -78.6 -34.72 46.55 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 120.055 1.298 . . . . 0.0 112.934 -174.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.29 -47.85 72.28 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.842 0.857 . . . . 0.0 110.937 164.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.25 -48.44 86.11 Favored Glycine 0 CA--C 1.529 0.913 0 C-N-CA 124.91 1.243 . . . . 0.0 113.668 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -63.52 -34.04 76.9 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 119.225 1.512 . . . . 0.0 111.799 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -65.75 -49.09 69.64 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.464 0.575 . . . . 0.0 110.207 174.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.6 mt -66.2 -24.19 66.57 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 120.999 -1.063 . . . . 0.0 113.046 173.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.77 -50.2 58.34 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 120.823 -1.173 . . . . 0.0 111.555 170.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 62.7 p -71.43 -27.29 63.18 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 121.451 -0.78 . . . . 0.0 113.071 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -77.1 -5.15 47.83 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 168.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 67.97 26.42 73.98 Favored Glycine 0 CA--C 1.539 1.539 0 CA-C-N 119.572 1.078 . . . . 0.0 114.379 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 40.8 t -85.99 -30.72 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.743 1.617 . . . . 0.0 111.805 175.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 24.9 mt -71.05 117.35 12.44 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.397 0.999 . . . . 0.0 110.315 169.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 26.7 m-80 -137.87 151.88 48.49 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.491 1.516 . . . . 0.0 110.159 178.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.02 -13.73 5.22 Favored 'General case' 0 CA--C 1.552 1.033 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 173.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 41.6 t -47.81 -49.72 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 126.642 1.977 . . . . 0.0 111.879 168.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -174.93 32.94 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 125.529 1.531 . . . . 0.0 114.495 -176.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -49.51 -35.7 20.87 Favored 'General case' 0 N--CA 1.475 0.815 0 O-C-N 120.108 -1.62 . . . . 0.0 113.572 176.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.0 t -59.84 -61.81 2.34 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.361 0.665 . . . . 0.0 111.473 169.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.18 -29.31 70.28 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -176.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.5 mt -62.45 -28.31 69.72 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 120.796 -1.19 . . . . 0.0 112.889 170.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.45 -39.85 94.22 Favored Glycine 0 CA--C 1.526 0.752 0 C-N-CA 123.78 0.705 . . . . 0.0 112.43 171.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.41 -43.62 96.52 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 118.864 -0.589 . . . . 0.0 111.49 167.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -59.46 -46.21 89.4 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.67 1.123 . . . . 0.0 112.884 177.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -67.32 -44.58 78.79 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.611 -0.68 . . . . 0.0 111.792 177.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -66.46 -32.92 74.58 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 120.991 -1.068 . . . . 0.0 113.22 177.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -66.37 -37.76 86.03 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.992 0.815 . . . . 0.0 111.407 170.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.6 -45.94 84.8 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.936 0.789 . . . . 0.0 112.489 173.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 53.9 mt -64.39 -36.3 83.71 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.481 -0.762 . . . . 0.0 112.382 172.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 34.9 t -62.48 -42.49 99.52 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.141 0.976 . . . . 0.0 112.069 173.175 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.29 -47.31 78.9 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.981 0.912 . . . . 0.0 111.294 171.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 51.9 m -70.82 -30.2 66.56 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -75.41 -37.86 60.19 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.218 1.007 . . . . 0.0 112.353 174.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.82 -39.09 90.57 Favored 'General case' 0 CA--C 1.544 0.743 0 O-C-N 121.724 -0.61 . . . . 0.0 111.19 166.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -64.53 -34.07 77.37 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 170.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 6.0 t -58.08 -29.91 65.81 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 120.638 -1.289 . . . . 0.0 112.738 172.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -81.8 2.9 28.0 Favored 'General case' 0 CA--C 1.553 1.095 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 175.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 18.3 t -56.83 -49.54 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 CA-C-N 120.493 1.497 . . . . 0.0 112.032 174.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.4 m -92.17 2.91 56.31 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.775 1.23 . . . . 0.0 112.189 172.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 62.2 -7.49 0.2 Allowed Glycine 0 CA--C 1.54 1.645 0 C-N-CA 127.249 2.357 . . . . 0.0 116.434 -174.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 51.2 27.37 3.43 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 125.505 1.522 . . . . 0.0 113.796 -163.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -137.23 -12.17 1.64 Allowed 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.752 1.39 . . . . 0.0 114.752 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 15.3 mt -93.63 27.41 2.67 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 125.288 1.435 . . . . 0.0 113.499 -175.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 176.63 -45.42 0.11 Allowed Glycine 0 N--CA 1.473 1.135 0 O-C-N 121.099 -1.001 . . . . 0.0 113.425 173.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 13.6 m -90.84 145.13 7.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 124.788 1.235 . . . . 0.0 110.375 167.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 73.7 m 28.68 71.23 0.06 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 127.922 2.489 . . . . 0.0 115.862 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -60.75 93.37 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 125.4 1.48 . . . . 0.0 111.966 174.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 51.3 t30 . . . . . 0 C--O 1.251 1.158 0 C-N-CA 125.326 1.451 . . . . 0.0 112.291 -178.9 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.473 0.696 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER 57.65 -61.48 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 128.585 2.754 . . . . 0.0 114.99 178.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.9 t -62.2 -42.01 98.89 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.596 1.559 . . . . 0.0 112.267 170.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -69.63 -35.8 75.57 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 121.128 -0.982 . . . . 0.0 112.426 175.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.24 -48.49 75.57 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.728 0.811 . . . . 0.0 111.089 174.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -56.26 -49.41 74.27 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.54 1.536 . . . . 0.0 111.22 172.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.63 -19.17 63.52 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.333 1.235 . . . . 0.0 114.333 172.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.15 -54.77 7.08 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 120.912 1.687 . . . . 0.0 111.533 174.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.2 -37.54 81.01 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 121.265 -0.897 . . . . 0.0 111.719 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.3 -51.69 68.46 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 117.785 -1.102 . . . . 0.0 110.383 172.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.2 t -55.47 -42.83 74.89 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 120.78 1.627 . . . . 0.0 112.352 173.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.6 t -58.18 -43.59 87.6 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 119.141 0.882 . . . . 0.0 112.486 177.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.7 t -75.82 -48.1 22.97 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.068 0.947 . . . . 0.0 112.531 176.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.4 HD13 ' HB1' ' A' ' 78' ' ' ALA . 59.9 mt -58.94 -36.5 74.88 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 125.994 1.717 . . . . 0.0 112.209 178.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.17 -16.88 62.55 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.378 1.471 . . . . 0.0 114.26 173.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 77.3 p -107.58 0.94 22.93 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 125.194 1.397 . . . . 0.0 112.355 173.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 58.6 m -89.06 74.53 8.07 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 126.547 1.939 . . . . 0.0 110.963 174.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 22.2 m -53.15 -29.86 33.7 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.68 94.7 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 119.167 0.894 . . . . 0.0 113.104 171.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.8 mt -69.68 -46.65 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 124.039 0.936 . . . . 0.0 109.933 175.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.8 m -60.07 -41.18 91.84 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.93 -40.22 75.65 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 117.587 -1.197 . . . . 0.0 113.075 173.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.88 -44.15 94.36 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 120.388 1.449 . . . . 0.0 111.411 174.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -72.92 -30.75 64.14 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 114.948 1.462 . . . . 0.0 114.948 176.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.98 -26.28 43.37 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 119.548 1.067 . . . . 0.0 113.008 172.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.3 t -65.73 -42.24 91.26 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.441 1.496 . . . . 0.0 111.855 174.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.8 m -75.94 140.06 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-O 121.412 0.625 . . . . 0.0 111.601 173.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.0 m -126.6 19.1 7.37 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.301 1.44 . . . . 0.0 112.279 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.9 t -136.68 137.14 39.7 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 125.538 1.535 . . . . 0.0 110.161 177.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.5 -33.98 70.42 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.217 0.607 . . . . 0.0 112.036 176.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 t -68.68 -39.95 80.35 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 123.556 0.743 . . . . 0.0 112.155 174.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.91 -45.2 86.89 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.287 -0.883 . . . . 0.0 111.861 175.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.16 -43.35 98.54 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.779 -0.576 . . . . 0.0 112.08 173.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.6 t -57.02 -49.81 74.65 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.198 1.399 . . . . 0.0 111.875 173.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 58.7 m -63.13 -39.65 95.3 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.472 1.109 . . . . 0.0 113.231 175.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.48 -50.27 65.96 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 119.405 1.002 . . . . 0.0 110.358 173.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -63.4 -32.09 73.43 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 120.828 -1.17 . . . . 0.0 113.023 -179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -61.5 -57.68 11.17 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 124.757 1.223 . . . . 0.0 110.945 166.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -59.22 -41.33 88.37 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.937 1.295 . . . . 0.0 113.938 -178.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.8 mm -69.5 -38.39 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 C-N-CA 125.413 1.485 . . . . 0.0 110.561 173.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.43 -35.58 66.72 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 125.944 1.735 . . . . 0.0 114.459 169.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -59.51 -48.94 79.71 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 120.444 2.122 . . . . 0.0 111.519 173.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 52.2 m -68.1 -41.06 82.37 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 121.717 -0.614 . . . . 0.0 112.028 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.84 -44.83 91.05 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 118.732 0.696 . . . . 0.0 111.348 173.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.79 -40.04 96.08 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.688 1.195 . . . . 0.0 113.027 175.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -64.55 -45.57 86.55 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 119.534 1.061 . . . . 0.0 112.412 172.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 70.2 m -62.26 -23.36 66.65 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.604 1.162 . . . . 0.0 113.643 175.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.9 mt -105.05 5.93 32.9 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 125.954 1.702 . . . . 0.0 112.85 177.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.31 32.06 63.38 Favored Glycine 0 CA--C 1.537 1.446 0 C-N-CA 125.972 1.748 . . . . 0.0 115.673 177.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.42 HG22 ' H ' ' A' ' 53' ' ' SER . 38.6 mm -62.27 130.23 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 C-N-CA 124.974 1.31 . . . . 0.0 111.32 -176.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.34 14.51 1.2 Allowed 'General case' 0 CA--C 1.555 1.147 0 C-N-CA 125.893 1.677 . . . . 0.0 115.197 -177.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.42 ' H ' HG22 ' A' ' 51' ' ' ILE . 1.3 m -170.77 62.7 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 128.87 2.868 . . . . 0.0 109.03 -177.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 28.8 p30 -53.13 -30.42 36.72 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 120.963 -1.086 . . . . 0.0 113.532 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.9 t -59.41 -41.33 89.23 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.997 1.719 . . . . 0.0 113.579 170.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.23 -39.01 55.6 Favored 'General case' 0 CA--C 1.535 0.372 0 O-C-N 121.234 -0.916 . . . . 0.0 111.648 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -51.8 59.03 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 122.982 0.513 . . . . 0.0 110.933 175.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.42 -38.12 79.81 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.827 0.851 . . . . 0.0 112.141 174.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -62.98 -46.83 92.73 Favored Glycine 0 CA--C 1.534 1.24 0 C-N-CA 124.175 0.893 . . . . 0.0 113.329 173.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.63 -38.99 93.23 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 118.509 1.155 . . . . 0.0 112.379 174.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.43 -37.71 88.47 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.806 1.242 . . . . 0.0 112.708 172.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.9 -44.8 91.87 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.375 1.07 . . . . 0.0 111.694 173.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -63.95 -34.47 78.04 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.722 0.809 . . . . 0.0 112.67 173.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.97 -53.26 59.45 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.505 0.722 . . . . 0.0 111.832 175.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.6 t -66.88 -43.98 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 123.87 0.868 . . . . 0.0 112.455 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.09 -25.19 64.06 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.236 0.922 . . . . 0.0 113.573 174.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -62.07 -41.1 99.67 Favored Glycine 0 CA--C 1.535 1.332 0 C-N-CA 125.347 1.451 . . . . 0.0 113.602 174.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 44.6 t -87.19 -47.53 15.86 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 CA-C-N 117.904 0.852 . . . . 0.0 111.099 173.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.57 163.78 8.81 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 125.765 1.65 . . . . 0.0 114.87 -177.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.09 132.03 52.81 Favored 'General case' 0 CA--C 1.547 0.842 0 O-C-N 121.53 -0.982 . . . . 0.0 113.452 -176.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 136.49 -39.49 1.64 Allowed Glycine 0 CA--C 1.535 1.339 0 C-N-CA 126.128 1.823 . . . . 0.0 113.604 177.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.32 169.81 5.4 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.528 1.131 . . . . 0.0 113.029 171.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 78.8 p -68.28 158.36 33.55 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 121.198 -0.939 . . . . 0.0 112.45 173.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.46 -29.94 64.64 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 121.64 -0.663 . . . . 0.0 112.704 170.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.0 t -59.63 -38.36 81.12 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.68 0.792 . . . . 0.0 112.602 172.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -64.78 -42.93 94.69 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.905 1.229 . . . . 0.0 112.415 176.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 -68.67 -43.41 76.23 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.593 0.757 . . . . 0.0 111.668 176.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.4 ' HB1' HD13 ' A' ' 15' ' ' LEU . . . -56.98 -39.87 75.45 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.802 1.241 . . . . 0.0 111.854 171.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -64.79 -49.5 70.43 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.904 0.774 . . . . 0.0 111.257 173.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.07 -44.03 96.92 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.612 0.642 . . . . 0.0 111.788 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 43.3 mt -60.13 -53.67 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 C-N-CA 125.577 1.551 . . . . 0.0 110.933 173.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.86 -22.94 64.18 Favored 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -81.2 -33.98 32.58 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.395 1.078 . . . . 0.0 113.416 167.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.57 -51.82 15.58 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 120.776 1.626 . . . . 0.0 110.924 176.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.48 -44.66 92.98 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.14 0.976 . . . . 0.0 111.346 168.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.75 -48.69 82.54 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-O 118.895 -0.947 . . . . 0.0 113.104 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -62.57 -44.92 95.13 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 119.141 1.47 . . . . 0.0 111.678 174.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -64.76 -48.62 73.86 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.159 0.891 . . . . 0.0 111.872 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.2 mt -69.02 -27.15 65.41 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.542 -1.349 . . . . 0.0 112.526 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.28 -47.21 71.3 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 119.481 1.037 . . . . 0.0 112.221 168.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 61.9 p -69.06 -30.66 69.04 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 119.318 0.963 . . . . 0.0 112.815 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 59.3 mm-40 -74.9 -8.66 57.12 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 114.03 1.122 . . . . 0.0 114.03 168.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 61.73 21.27 60.53 Favored Glycine 0 CA--C 1.539 1.572 0 O-C-N 121.138 -0.976 . . . . 0.0 114.365 -174.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 5.5 t -64.83 -35.16 74.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.706 1.203 . . . . 0.0 110.835 172.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 4.4 pp -105.7 151.28 24.62 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.566 1.146 . . . . 0.0 111.531 172.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -150.87 152.84 34.28 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.062 1.745 . . . . 0.0 108.617 -175.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -52.93 -19.36 2.53 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 58.7 t -44.92 -48.2 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 127.169 2.187 . . . . 0.0 112.587 167.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -161.25 29.44 0.14 Allowed 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.332 1.453 . . . . 0.0 113.163 -176.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.34 -41.17 68.77 Favored 'General case' 0 N--CA 1.47 0.53 0 O-C-N 120.763 -1.211 . . . . 0.0 112.67 -179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.6 p -59.16 -59.89 4.74 Favored 'General case' 0 C--O 1.224 -0.27 0 C-N-CA 123.148 0.579 . . . . 0.0 111.647 167.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -36.06 63.93 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -177.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 76.1 mt -66.34 -25.8 66.99 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.695 1.198 . . . . 0.0 114.009 173.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -57.77 -42.32 94.41 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 123.762 0.696 . . . . 0.0 112.059 167.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -33.28 75.3 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 171.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.36 -47.57 72.98 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 119.061 0.846 . . . . 0.0 112.543 176.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.7 tt -68.03 -39.36 83.1 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.224 -0.922 . . . . 0.0 112.135 172.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.32 -37.08 85.85 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 119.421 1.009 . . . . 0.0 111.887 175.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -64.52 -34.64 78.71 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.312 0.96 . . . . 0.0 112.552 168.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.05 -47.33 71.65 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-N 120.317 1.417 . . . . 0.0 112.665 175.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 29.4 mt -65.54 -39.82 92.18 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.253 1.021 . . . . 0.0 111.418 172.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 34.4 t -69.59 -42.97 73.75 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.594 1.158 . . . . 0.0 113.344 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -56.04 -44.96 79.32 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.761 1.164 . . . . 0.0 110.601 173.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.9 t -66.77 -47.66 71.46 Favored 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 176.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -67.68 -35.23 78.46 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 119.694 1.134 . . . . 0.0 113.361 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.64 -43.73 95.92 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.584 1.154 . . . . 0.0 111.612 170.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -66.02 -33.74 76.5 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.558 -0.714 . . . . 0.0 112.536 171.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.4 t -61.68 -40.74 96.04 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 120.567 -1.333 . . . . 0.0 111.648 174.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.56 -20.74 63.61 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 170.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -78.74 -32.49 15.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 124.473 1.109 . . . . 0.0 112.65 172.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 75.5 m -69.66 -8.53 48.43 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 114.534 1.309 . . . . 0.0 114.534 -178.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 75.85 -35.26 1.23 Allowed Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.875 1.703 . . . . 0.0 114.495 176.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.57 -15.22 2.64 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.041 1.337 . . . . 0.0 114.596 171.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -57.25 -28.6 63.09 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.134 1.374 . . . . 0.0 113.127 174.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.33 41.24 0.11 Allowed 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 126.235 1.814 . . . . 0.0 112.347 175.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 68.67 35.28 80.21 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 125.66 1.6 . . . . 0.0 114.391 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 29.6 t 50.2 68.69 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 126.431 1.892 . . . . 0.0 111.305 -172.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.0 t -148.03 162.27 39.69 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.461 1.505 . . . . 0.0 111.375 -178.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 58.11 -68.23 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 128.23 2.612 . . . . 0.0 115.303 -175.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 . . . . . 0 C--O 1.256 1.41 0 C-N-CA 127.051 2.14 . . . . 0.0 111.3 -170.557 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -75.16 -51.13 14.16 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.064 0.946 . . . . 0.0 111.762 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.2 p -67.47 -35.13 78.59 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.799 0.839 . . . . 0.0 111.784 176.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 t -67.51 -38.06 83.72 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.363 0.665 . . . . 0.0 111.82 174.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.52 -44.44 82.47 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.446 1.021 . . . . 0.0 111.849 172.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.422 ' CD1' HD21 ' A' ' 95' ' ' LEU . 62.1 t80 -58.56 -49.6 76.85 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 120.994 -1.066 . . . . 0.0 110.238 173.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.1 -29.05 70.49 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-O 117.807 -1.092 . . . . 0.0 113.17 174.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -65.37 -56.22 13.77 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 121.583 1.992 . . . . 0.0 111.477 175.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.65 -41.48 88.19 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 118.485 0.584 . . . . 0.0 111.618 178.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.81 -52.79 64.01 Favored 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 117.684 -1.151 . . . . 0.0 110.58 174.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.3 m -58.9 -35.67 73.42 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 120.669 1.577 . . . . 0.0 113.033 174.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.34 -44.96 92.58 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.492 1.042 . . . . 0.0 111.453 175.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.6 t -73.34 -51.4 17.57 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.731 0.812 . . . . 0.0 112.079 174.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.6 mt -57.96 -36.64 72.84 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 127.247 2.219 . . . . 0.0 113.19 -178.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.07 -27.01 61.48 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 124.342 1.057 . . . . 0.0 113.104 173.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.7 -28.97 36.52 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 125.828 1.651 . . . . 0.0 112.413 172.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 75.2 m -70.52 74.77 0.56 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 127.085 2.154 . . . . 0.0 112.453 177.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.3 m -52.63 -31.56 37.39 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.958 0.903 . . . . 0.0 113.202 175.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.32 -39.85 94.39 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.304 0.957 . . . . 0.0 113.187 172.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 64.2 mt -70.27 -46.06 73.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 124.117 0.967 . . . . 0.0 110.146 175.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.1 t -59.36 -43.37 92.86 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.031 0.532 . . . . 0.0 111.776 175.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -62.61 -43.99 97.43 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 117.752 -1.118 . . . . 0.0 113.183 171.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.44 -43.82 93.04 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 120.413 1.46 . . . . 0.0 111.79 175.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -65.51 -36.14 82.97 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 175.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.67 -26.06 50.05 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 174.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.8 t -66.82 -42.69 85.46 Favored 'General case' 0 N--CA 1.468 0.425 0 C-N-CA 125.457 1.503 . . . . 0.0 111.867 177.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.8 m -74.85 148.38 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 O-C-N 121.955 -0.466 . . . . 0.0 112.091 171.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.7 p -136.76 19.11 3.05 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.222 1.409 . . . . 0.0 113.015 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.32 137.23 38.73 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 126.704 2.002 . . . . 0.0 109.747 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.08 -36.69 77.95 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.927 -0.483 . . . . 0.0 112.233 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 m -70.24 -31.3 68.64 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 171.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.64 -40.7 72.92 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 120.427 -1.421 . . . . 0.0 110.672 173.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.9 -42.15 90.58 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.734 0.813 . . . . 0.0 111.623 171.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.8 p -61.59 -41.6 97.66 Favored 'General case' 0 CA--C 1.536 0.412 0 O-C-N 120.938 -1.101 . . . . 0.0 111.066 174.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 13.4 t -69.19 -38.96 78.91 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.797 1.239 . . . . 0.0 113.265 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.83 -45.75 91.15 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 120.538 -1.351 . . . . 0.0 110.586 173.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -70.05 -27.9 65.02 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.411 0.684 . . . . 0.0 112.121 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -63.46 -53.44 52.11 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 123.721 0.808 . . . . 0.0 110.308 168.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -65.35 -45.38 84.41 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 120.39 -1.444 . . . . 0.0 113.134 -179.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.1 mt -62.43 -43.11 97.91 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 C-N-CA 124.745 1.218 . . . . 0.0 110.974 175.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.18 -39.66 92.47 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 125.091 1.329 . . . . 0.0 113.026 176.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.9 -52.34 65.47 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 119.534 1.667 . . . . 0.0 110.524 174.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 68.9 m -64.76 -31.84 73.25 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.18 -48.25 44.65 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 121.301 -0.874 . . . . 0.0 111.949 172.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.08 -37.35 69.21 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.886 1.274 . . . . 0.0 112.008 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.6 mmm-85 -62.32 -41.75 98.8 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.781 1.632 . . . . 0.0 113.778 170.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.0 m -65.19 -40.52 94.35 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 118.932 0.787 . . . . 0.0 112.208 173.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.4 mp -75.35 -23.17 57.16 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 123.675 0.79 . . . . 0.0 112.679 176.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 90.5 26.34 23.31 Favored Glycine 0 CA--C 1.537 1.415 0 C-N-CA 125.265 1.412 . . . . 0.0 114.447 176.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.506 HG22 ' H ' ' A' ' 53' ' ' SER . 1.7 mp -59.37 137.24 22.08 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.99 0 C-N-CA 124.764 1.226 . . . . 0.0 110.738 178.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.4 8.52 21.34 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 125.181 1.393 . . . . 0.0 114.11 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.506 ' H ' HG22 ' A' ' 51' ' ' ILE . 34.9 p -152.48 51.74 0.77 Allowed 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.408 1.883 . . . . 0.0 110.196 -173.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -53.97 -37.99 64.54 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 121.347 -0.846 . . . . 0.0 110.552 -174.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 42.1 p -55.6 -36.45 66.95 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 127.141 2.177 . . . . 0.0 114.187 173.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -82.21 -40.26 21.94 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.626 1.171 . . . . 0.0 112.218 178.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.39 -58.52 6.81 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.813 0.845 . . . . 0.0 109.298 175.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.07 -35.68 77.59 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.904 1.282 . . . . 0.0 112.226 176.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.89 -42.64 96.84 Favored Glycine 0 CA--C 1.535 1.291 0 CA-C-N 119.078 0.854 . . . . 0.0 112.57 175.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.79 -40.8 96.46 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.419 1.109 . . . . 0.0 111.675 171.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.436 HD22 HG23 ' A' ' 81' ' ' ILE . 79.7 mt -63.36 -40.72 98.04 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.02 0.827 . . . . 0.0 112.952 174.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.15 -49.7 76.62 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.112 0.965 . . . . 0.0 111.285 174.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 -63.37 -37.09 85.93 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.123 0.969 . . . . 0.0 112.143 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.38 -48.89 73.76 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.397 1.079 . . . . 0.0 112.434 176.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 38.9 t -63.08 -41.22 92.02 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 123.963 0.905 . . . . 0.0 111.64 175.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -60.66 -20.74 56.93 Favored Glycine 0 CA--C 1.541 1.674 0 C-N-CA 124.346 0.974 . . . . 0.0 113.783 171.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.51 -41.43 96.26 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 125.347 1.451 . . . . 0.0 113.15 176.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.0 t -79.58 -44.22 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 118.07 0.935 . . . . 0.0 110.512 171.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.2 166.36 10.71 Favored Glycine 0 CA--C 1.542 1.777 0 C-N-CA 123.964 0.792 . . . . 0.0 113.649 -175.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.45 155.17 18.89 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 114.079 1.14 . . . . 0.0 114.079 -173.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 82.67 43.62 7.7 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 124.215 0.912 . . . . 0.0 113.322 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -138.13 166.68 23.54 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.456 1.502 . . . . 0.0 112.208 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.3 m -60.57 148.33 38.47 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.742 1.217 . . . . 0.0 112.045 178.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.71 -41.33 70.16 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 121.581 -0.699 . . . . 0.0 111.793 171.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.9 t -56.52 -36.24 68.98 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.458 1.103 . . . . 0.0 112.969 173.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -65.65 -46.13 80.36 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 120.411 1.46 . . . . 0.0 112.027 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 37.3 m-85 -68.84 -44.76 72.75 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 121.578 -0.701 . . . . 0.0 111.483 174.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.74 -38.09 86.66 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 125.19 1.396 . . . . 0.0 112.031 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -69.95 -46.55 65.02 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.533 1.533 . . . . 0.0 110.614 172.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -56.69 -43.13 80.2 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 120.061 1.301 . . . . 0.0 112.049 175.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.436 HG23 HD22 ' A' ' 61' ' ' LEU . 53.6 mt -60.41 -51.23 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 C-N-CA 125.624 1.57 . . . . 0.0 111.235 170.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.16 -27.0 68.78 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 119.389 0.995 . . . . 0.0 113.227 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -77.43 -42.21 36.98 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 124.699 1.2 . . . . 0.0 112.19 170.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.78 -49.85 42.16 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 119.557 1.071 . . . . 0.0 111.879 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.68 -45.87 88.48 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.962 0.905 . . . . 0.0 110.641 167.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -57.05 -46.03 91.86 Favored Glycine 0 CA--C 1.535 1.295 0 CA-C-O 119.014 -0.881 . . . . 0.0 113.076 177.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -62.24 -41.85 98.79 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 119.167 1.483 . . . . 0.0 111.821 172.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -60.88 -48.34 82.25 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.217 0.607 . . . . 0.0 111.12 175.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 11.0 mt -73.56 -22.15 60.15 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.003 0.921 . . . . 0.0 112.338 179.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.27 -52.76 36.85 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 120.621 -1.3 . . . . 0.0 111.1 167.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.5 t -66.68 -32.3 73.52 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -71.73 -7.88 50.8 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 170.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 70.92 11.52 69.87 Favored Glycine 0 CA--C 1.539 1.587 0 O-C-N 120.845 -1.159 . . . . 0.0 114.206 -178.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.9 t -69.31 -35.52 67.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 125.443 1.497 . . . . 0.0 110.713 175.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.422 HD21 ' CD1' ' A' ' 7' ' ' PHE . 55.0 mt -72.97 119.25 16.96 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 121.668 0.747 . . . . 0.0 110.986 169.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -148.13 150.37 33.71 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 127.063 2.145 . . . . 0.0 111.033 -175.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -61.26 -12.47 13.42 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 47.9 t -52.73 -49.66 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 C-N-CA 126.133 1.773 . . . . 0.0 111.309 170.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -169.64 33.67 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.133 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -177.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -50.15 -33.59 19.55 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.774 1.624 . . . . 0.0 112.467 175.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.5 t -63.39 -64.31 0.94 Allowed 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.847 -0.533 . . . . 0.0 110.082 170.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.78 -30.79 69.12 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -174.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.22 -25.07 66.8 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.88 -1.138 . . . . 0.0 113.28 171.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -60.71 -46.71 93.93 Favored Glycine 0 CA--C 1.528 0.872 0 C-N-CA 124.156 0.884 . . . . 0.0 112.194 169.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.2 m -63.16 -37.18 86.22 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 117.934 0.867 . . . . 0.0 112.39 169.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.87 -46.4 90.74 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 119.975 1.261 . . . . 0.0 112.435 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -72.34 -40.89 67.05 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.429 -0.794 . . . . 0.0 111.577 177.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -59.8 -38.46 81.99 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.168 -0.957 . . . . 0.0 112.512 173.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -67.66 -36.42 80.7 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.875 0.761 . . . . 0.0 111.952 173.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.13 -46.28 88.03 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.287 0.948 . . . . 0.0 111.956 172.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 78.5 mt -65.86 -35.0 79.44 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.548 0.739 . . . . 0.0 111.929 173.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 25.9 t -63.92 -41.1 97.74 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.422 1.089 . . . . 0.0 112.286 173.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -56.5 -48.38 77.29 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.476 0.71 . . . . 0.0 110.647 170.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 15.4 m -65.46 -35.93 82.38 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 176.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -71.11 -45.51 63.51 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.845 1.258 . . . . 0.0 112.333 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.45 92.13 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.758 0.823 . . . . 0.0 110.813 170.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -67.1 -32.34 73.42 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 173.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.61 -41.89 99.25 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 120.641 -1.287 . . . . 0.0 111.888 170.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -76.02 -11.38 59.94 Favored 'General case' 0 CA--C 1.551 0.998 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 174.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.19 -28.49 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 CA-C-N 119.506 1.048 . . . . 0.0 112.303 176.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 17.3 t -121.35 -65.13 1.16 Allowed 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.862 1.265 . . . . 0.0 112.206 -177.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 51.04 19.27 3.52 Favored Glycine 0 CA--C 1.543 1.843 0 N-CA-C 114.991 0.756 . . . . 0.0 114.991 -174.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 51.39 22.93 1.57 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 126.743 2.017 . . . . 0.0 115.434 -171.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -117.59 -16.36 10.13 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 -176.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -66.04 11.56 0.08 Allowed 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 126.684 1.994 . . . . 0.0 115.773 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 104.59 -41.73 2.07 Favored Glycine 0 CA--C 1.534 1.268 0 C-N-CA 126.652 2.072 . . . . 0.0 111.914 -172.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 74.6 t 60.36 154.68 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 127.566 2.347 . . . . 0.0 112.497 -173.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 62.3 m -71.29 65.0 0.4 Allowed 'General case' 0 N--CA 1.478 0.941 0 O-C-N 120.276 -1.515 . . . . 0.0 112.275 172.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.78 77.11 1.37 Allowed 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 126.26 1.824 . . . . 0.0 109.834 -174.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 . . . . . 0 C--O 1.256 1.417 0 C-N-CA 125.342 1.457 . . . . 0.0 113.364 176.012 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.3 p . . . . . 0 CA--C 1.538 0.502 0 CA-C-O 121.57 0.7 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.496 ' H ' ' CD1' ' A' ' 95' ' ' LEU . 0.1 OUTLIER -128.23 61.32 1.46 Allowed 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.244 1.018 . . . . 0.0 111.803 -164.317 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.2 t -53.41 -39.16 64.11 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.335 1.054 . . . . 0.0 113.406 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 t -64.75 -37.2 86.79 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.203 -0.936 . . . . 0.0 112.725 175.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.35 -42.53 79.11 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.194 -0.941 . . . . 0.0 111.513 174.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.3 t80 -55.22 -49.48 71.85 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.958 0.903 . . . . 0.0 110.772 172.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.57 -25.79 68.13 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-O 117.457 -1.259 . . . . 0.0 113.817 174.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -71.95 -46.57 57.0 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 121.023 1.738 . . . . 0.0 113.297 174.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.04 -41.38 70.87 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.128 -0.982 . . . . 0.0 111.1 176.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.01 -50.33 73.77 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 118.479 -0.772 . . . . 0.0 111.105 171.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.7 p -62.22 -34.71 77.01 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 120.252 1.387 . . . . 0.0 112.815 176.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.7 m -57.33 -47.39 81.7 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 120.907 1.685 . . . . 0.0 112.573 171.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 58.2 m -72.04 -45.93 58.95 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 176.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.7 mt -66.92 -31.26 71.72 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 124.604 1.161 . . . . 0.0 111.913 -179.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.9 -36.59 78.22 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.915 1.286 . . . . 0.0 113.327 174.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.3 t -83.52 -3.33 57.54 Favored 'General case' 0 N--CA 1.48 1.069 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 174.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.0 t -105.55 77.6 1.29 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 125.236 1.414 . . . . 0.0 111.301 -175.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.6 m -53.91 -25.13 18.73 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 114.312 1.226 . . . . 0.0 114.312 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.75 -32.14 72.37 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.269 1.028 . . . . 0.0 113.468 172.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.69 HD11 ' HA ' ' A' ' 112' ' ' SER . 30.3 mm -70.59 -48.5 58.39 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.666 0 C-N-CA 125.352 1.461 . . . . 0.0 109.749 173.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.5 m -57.52 -39.33 76.3 Favored 'General case' 0 N--CA 1.462 0.16 0 C-N-CA 123.498 0.719 . . . . 0.0 111.793 174.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.9 mtm180 -61.31 -53.11 60.95 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-O 116.848 -1.548 . . . . 0.0 112.005 168.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.51 -35.96 31.76 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 121.549 1.977 . . . . 0.0 113.733 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.424 ' CE2' HG22 ' A' ' 21' ' ' ILE . 17.1 m-85 -82.97 -36.03 25.44 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 176.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.28 -23.85 47.03 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.397 0.999 . . . . 0.0 113.271 176.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.2 m -62.78 -27.5 69.34 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 127.314 2.246 . . . . 0.0 113.376 174.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.5 m -96.34 154.03 3.61 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 123.62 0.768 . . . . 0.0 111.109 172.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.4 m -121.26 15.1 11.37 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.936 1.295 . . . . 0.0 112.575 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.7 m -140.34 139.93 35.49 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.916 1.686 . . . . 0.0 110.79 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.73 98.39 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.451 0.701 . . . . 0.0 110.917 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.1 t -65.0 -32.23 73.86 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.013 0.925 . . . . 0.0 112.86 176.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.47 -41.21 76.48 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 120.954 -1.091 . . . . 0.0 111.801 173.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.93 -41.52 98.04 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.503 0.592 . . . . 0.0 111.185 168.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 65.0 m -57.05 -46.33 82.51 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 124.227 1.011 . . . . 0.0 111.489 175.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.2 m -63.7 -44.1 94.66 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 118.903 0.774 . . . . 0.0 112.721 173.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.8 -49.98 74.15 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 119.69 1.132 . . . . 0.0 111.609 177.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.453 ' HB1' HD11 ' A' ' 61' ' ' LEU . . . -62.68 -35.91 81.2 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.41 1.484 . . . . 0.0 112.205 177.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 53.4 t80 -63.15 -50.31 70.91 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.278 1.031 . . . . 0.0 111.46 169.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -58.91 -50.29 74.58 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.653 1.115 . . . . 0.0 112.694 178.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 5.9 pt -70.02 -31.42 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 123.324 0.649 . . . . 0.0 112.1 178.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -71.18 -36.06 63.95 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 125.746 1.641 . . . . 0.0 113.678 175.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.8 mt -60.55 -43.01 97.7 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 119.143 1.472 . . . . 0.0 111.397 169.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.5 t -64.26 -43.75 93.9 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 118.401 0.546 . . . . 0.0 111.924 176.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.6 -44.87 93.24 Favored 'General case' 0 CA--C 1.543 0.708 0 O-C-N 121.553 -0.717 . . . . 0.0 111.964 171.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.64 -42.21 98.16 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.615 1.166 . . . . 0.0 112.901 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 37.3 mtp85 -61.72 -40.64 95.78 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.006 1.322 . . . . 0.0 112.196 173.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 14.0 t -64.57 -37.87 89.05 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.742 0.817 . . . . 0.0 112.7 172.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.0 mt -85.8 5.68 31.47 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 125.849 1.66 . . . . 0.0 113.792 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 60.07 30.0 69.4 Favored Glycine 0 CA--C 1.537 1.44 0 C-N-CA 125.396 1.474 . . . . 0.0 115.146 177.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.9 mm -61.41 133.33 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.519 1.528 . . . . 0.0 111.427 -174.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.12 11.54 1.8 Allowed 'General case' 0 CA--C 1.553 1.086 0 N-CA-C 115.1 1.518 . . . . 0.0 115.1 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.485 ' HB3' ' HB3' ' A' ' 56' ' ' ALA . 0.4 OUTLIER -175.67 66.43 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 128.532 2.733 . . . . 0.0 108.537 -173.311 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -53.02 -43.4 66.52 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.277 -0.889 . . . . 0.0 110.884 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.7 t -56.0 -38.12 70.05 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 125.853 1.661 . . . . 0.0 113.759 174.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.485 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -78.29 -40.65 36.24 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 119.302 0.955 . . . . 0.0 112.172 179.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 8.0 tt -61.59 -56.24 21.99 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.177 0.898 . . . . 0.0 109.892 172.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.32 -36.95 79.13 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.686 0.795 . . . . 0.0 112.113 -178.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.52 -43.16 78.61 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.515 1.055 . . . . 0.0 113.508 174.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.68 -36.33 83.48 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 118.546 1.173 . . . . 0.0 112.325 172.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.453 HD11 ' HB1' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -68.49 -40.93 80.71 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.985 1.314 . . . . 0.0 112.349 172.507 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.22 -41.55 79.69 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.908 0.883 . . . . 0.0 112.105 171.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -62.59 -31.43 72.25 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 174.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -71.81 -42.4 67.1 Favored 'General case' 0 CA--C 1.539 0.538 0 CA-C-N 119.069 0.849 . . . . 0.0 111.971 175.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.4 t -60.81 -46.53 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 124.443 1.097 . . . . 0.0 112.032 171.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.71 -5.29 30.27 Favored Glycine 0 CA--C 1.539 1.549 0 C-N-CA 124.334 0.969 . . . . 0.0 114.403 170.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.44 -34.14 29.65 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.425 1.488 . . . . 0.0 113.698 179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 13.7 t -83.46 -50.13 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 CA-C-N 118.365 1.082 . . . . 0.0 111.432 177.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 113.95 174.83 18.83 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 125.064 1.316 . . . . 0.0 114.084 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.32 152.89 40.75 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.231 1.013 . . . . 0.0 112.543 -177.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 64.06 9.79 36.74 Favored Glycine 0 CA--C 1.539 1.587 0 C-N-CA 123.94 0.781 . . . . 0.0 114.918 -178.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.72 165.48 10.32 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.92 1.288 . . . . 0.0 112.423 173.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.3 t -61.65 145.79 51.11 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 122.922 0.489 . . . . 0.0 111.943 178.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.37 -42.25 81.75 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 121.605 -0.684 . . . . 0.0 112.512 172.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.4 m -66.54 -26.49 67.16 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 173.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -72.09 -43.27 65.07 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 119.373 0.988 . . . . 0.0 111.58 174.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -64.18 -44.85 90.76 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.798 0.727 . . . . 0.0 111.942 171.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.49 -48.16 79.98 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.235 0.614 . . . . 0.0 111.985 175.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -65.28 -37.52 87.43 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 118.357 -0.83 . . . . 0.0 113.139 173.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.54 -39.83 94.48 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 120.649 1.568 . . . . 0.0 112.306 176.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 78.2 mt -71.33 -43.02 74.08 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 O-C-N 121.116 -0.99 . . . . 0.0 110.555 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.46 -31.61 71.02 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 178.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -70.68 -32.95 70.39 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.679 1.127 . . . . 0.0 111.225 167.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -71.55 -44.5 64.46 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 119.82 1.191 . . . . 0.0 111.969 178.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.43 -45.58 86.91 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.846 -0.534 . . . . 0.0 111.267 169.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.67 -48.64 83.07 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 125.092 1.329 . . . . 0.0 113.487 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -63.24 -37.04 85.67 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.141 1.47 . . . . 0.0 111.005 176.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -67.65 -50.57 57.2 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.56 0.618 . . . . 0.0 110.404 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 4.9 mt -66.71 -29.34 69.3 Favored 'General case' 0 CA--C 1.542 0.673 0 O-C-N 120.88 -1.137 . . . . 0.0 112.449 176.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.68 -49.25 66.73 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.349 1.459 . . . . 0.0 112.59 171.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 70.8 p -67.8 -32.53 73.15 Favored 'General case' 0 N--CA 1.48 1.068 0 CA-C-N 119.159 0.89 . . . . 0.0 112.317 178.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 -77.76 -7.18 56.2 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 171.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 58.96 22.99 56.26 Favored Glycine 0 CA--C 1.538 1.507 0 C-N-CA 124.689 1.138 . . . . 0.0 114.355 -175.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 17.6 t -69.03 -41.69 81.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 125.137 1.375 . . . . 0.0 110.666 176.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.496 ' CD1' ' H ' ' A' ' 3' ' ' TYR . 4.4 pp -87.89 154.93 20.13 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.542 0.737 . . . . 0.0 111.31 170.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -151.14 148.54 28.4 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.697 1.599 . . . . 0.0 108.712 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -47.1 -20.36 0.16 Allowed 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 116.335 1.976 . . . . 0.0 116.335 176.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 95.8 t -43.12 -48.77 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 C-N-CA 127.075 2.15 . . . . 0.0 112.636 164.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -160.62 24.65 0.15 Allowed 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 125.474 1.51 . . . . 0.0 113.611 -177.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.98 -36.38 67.8 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 120.339 -1.476 . . . . 0.0 113.38 -178.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.3 p -58.21 -64.35 0.95 Allowed 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 122.65 0.38 . . . . 0.0 111.189 165.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.9 -36.87 60.04 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 -178.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 66.0 mt -65.56 -28.51 69.21 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.012 -1.055 . . . . 0.0 113.125 172.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -56.0 -48.22 74.8 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 124.515 1.055 . . . . 0.0 112.227 168.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.5 m -63.43 -37.47 87.43 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 118.024 0.912 . . . . 0.0 113.014 171.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.16 -40.15 96.72 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 7.9 tt -80.73 -33.64 35.02 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.495 -0.753 . . . . 0.0 112.158 173.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -57.62 -35.21 70.18 Favored 'General case' 0 C--O 1.222 -0.356 0 O-C-N 121.071 -1.018 . . . . 0.0 111.87 171.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -60.11 -36.74 78.11 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 119.236 0.925 . . . . 0.0 112.986 169.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.37 -51.4 66.03 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 119.39 0.996 . . . . 0.0 111.006 174.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 59.0 mt -63.88 -37.47 87.49 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.528 0.731 . . . . 0.0 112.279 177.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.69 ' HA ' HD11 ' A' ' 21' ' ' ILE . 3.5 m -64.23 -46.78 82.31 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.852 1.261 . . . . 0.0 112.95 174.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -62.93 -40.92 99.1 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 118.969 0.804 . . . . 0.0 111.451 173.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.7 m -67.52 -40.42 85.09 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -66.59 -43.8 83.91 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.399 -0.813 . . . . 0.0 111.565 171.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -57.19 -32.19 66.21 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.928 0.891 . . . . 0.0 112.125 171.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -63.3 -52.72 60.76 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.67 1.188 . . . . 0.0 111.815 176.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.2 t -69.24 -36.98 77.74 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.885 -0.509 . . . . 0.0 111.652 176.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.496 ' HA ' ' CE1' ' A' ' 124' ' ' TYR . . . -59.62 -26.59 65.61 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.368 1.067 . . . . 0.0 113.817 174.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -67.2 -28.22 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.0 0.92 . . . . 0.0 112.858 175.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 75.2 m -75.92 -35.26 59.84 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -174.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 78.45 -11.8 23.37 Favored Glycine 0 CA--C 1.542 1.754 0 N-CA-C 115.988 1.155 . . . . 0.0 115.988 -177.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -93.17 -17.33 23.85 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 118.67 1.235 . . . . 0.0 112.034 174.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.496 ' CE1' ' HA ' ' A' ' 119' ' ' ALA . 10.8 p90 -55.21 -28.72 55.11 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.874 1.669 . . . . 0.0 114.292 179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.12 16.35 9.93 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.888 1.275 . . . . 0.0 114.127 178.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 80.31 23.7 60.45 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.324 0.964 . . . . 0.0 113.891 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 39.7 t 56.95 84.26 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 126.746 2.019 . . . . 0.0 111.74 -172.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 1.2 p 61.84 158.6 0.05 Allowed 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 127.124 2.17 . . . . 0.0 114.285 -167.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.4 tm0? -151.45 61.51 0.89 Allowed 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 123.797 0.839 . . . . 0.0 111.274 -178.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 . . . . . 0 C--O 1.256 1.407 0 C-N-CA 126.317 1.847 . . . . 0.0 112.4 -178.284 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.1 p . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 46.5 29.76 0.96 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 125.089 1.356 . . . . 0.0 114.208 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.6 m -55.65 -37.96 68.94 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 120.715 -1.24 . . . . 0.0 113.025 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 t -65.27 -37.93 88.7 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.03 0.532 . . . . 0.0 112.123 175.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.8 -41.3 68.43 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 121.493 -0.754 . . . . 0.0 112.219 176.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -58.25 -51.11 71.13 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.143 0.977 . . . . 0.0 110.397 171.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.85 -22.06 66.92 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 117.855 -1.069 . . . . 0.0 113.778 173.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -74.4 -50.63 17.76 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 121.087 1.767 . . . . 0.0 112.477 174.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.55 -40.23 84.99 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 119.154 0.888 . . . . 0.0 111.26 175.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.56 -47.23 86.35 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-O 118.338 -0.839 . . . . 0.0 111.09 171.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.0 t -57.38 -48.48 78.93 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.934 1.243 . . . . 0.0 111.993 174.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -39.76 88.79 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.536 1.062 . . . . 0.0 112.268 179.622 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.4 t -67.5 -55.55 13.08 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.886 0.874 . . . . 0.0 111.797 172.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 26.4 mt -61.2 -29.66 69.95 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 125.749 1.62 . . . . 0.0 113.195 -178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.51 -22.32 61.8 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 126.152 1.781 . . . . 0.0 113.861 172.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.6 t -103.23 -19.92 14.32 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.349 1.06 . . . . 0.0 112.899 174.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.1 m -66.32 79.46 0.1 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 126.693 1.997 . . . . 0.0 112.24 173.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.6 t -53.03 -35.77 59.81 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.559 -0.713 . . . . 0.0 112.042 173.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.44 -38.43 71.6 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 120.937 -1.102 . . . . 0.0 113.905 173.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.4 mm -69.11 -46.56 77.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 124.452 1.101 . . . . 0.0 109.761 174.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.2 t -59.48 -45.34 91.93 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.096 0.558 . . . . 0.0 112.46 177.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.1 mtp180 -66.77 -40.95 88.42 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 124.389 1.076 . . . . 0.0 112.44 175.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.55 -46.44 90.16 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 119.909 1.232 . . . . 0.0 111.983 173.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -70.43 -29.75 66.43 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 176.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -80.57 -22.56 40.63 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 119.388 0.994 . . . . 0.0 112.976 172.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.56 -37.49 84.03 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.191 1.396 . . . . 0.0 112.324 172.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.0 m -85.38 145.96 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 124.015 0.926 . . . . 0.0 111.407 175.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.3 m -121.07 -10.16 9.08 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 124.665 1.186 . . . . 0.0 113.88 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.0 m -104.31 143.47 32.93 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.946 1.298 . . . . 0.0 110.9 173.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.7 -41.01 89.78 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.428 0.691 . . . . 0.0 112.131 175.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.6 m -66.99 -30.21 70.26 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 171.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -70.0 -37.0 75.55 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 120.322 1.419 . . . . 0.0 112.006 174.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.28 -43.62 92.51 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 121.744 -0.597 . . . . 0.0 111.227 165.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -41.76 98.26 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 118.577 -0.725 . . . . 0.0 112.28 175.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.8 m -62.29 -43.41 98.9 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.935 1.294 . . . . 0.0 113.211 175.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.75 -50.62 62.14 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 118.908 0.776 . . . . 0.0 110.108 175.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.34 -38.33 90.66 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.205 0.602 . . . . 0.0 110.627 -175.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -58.24 -56.41 22.39 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.404 1.481 . . . . 0.0 111.352 170.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.5 m-80 -57.48 -40.23 78.13 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.449 HG23 ' HB2' ' A' ' 114' ' ' SER . 8.8 mt -68.06 -39.67 81.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 125.251 1.421 . . . . 0.0 111.638 172.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -56.91 -37.21 77.13 Favored Glycine 0 C--O 1.223 -0.551 0 C-N-CA 126.925 2.202 . . . . 0.0 113.363 174.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -57.91 -36.61 72.7 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 119.188 1.494 . . . . 0.0 112.297 171.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.5 t -70.65 -47.4 60.21 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 119.247 0.931 . . . . 0.0 111.771 177.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.32 -48.8 78.02 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.908 -0.495 . . . . 0.0 110.869 172.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.89 -45.52 86.31 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.216 1.406 . . . . 0.0 112.888 177.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -60.26 -47.57 85.44 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.498 1.119 . . . . 0.0 112.353 173.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 57.8 m -64.64 -25.29 67.89 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 113.859 1.059 . . . . 0.0 113.859 176.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.3 mt -96.27 2.57 53.0 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.934 1.694 . . . . 0.0 112.75 176.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.61 32.11 64.6 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 125.563 1.554 . . . . 0.0 115.002 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.507 HG22 ' H ' ' A' ' 53' ' ' SER . 42.7 mm -59.62 129.42 21.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 C-N-CA 124.862 1.265 . . . . 0.0 111.068 -177.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.83 8.43 4.6 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.099 1.36 . . . . 0.0 114.392 -178.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.507 ' H ' HG22 ' A' ' 51' ' ' ILE . 50.0 p -163.31 52.98 0.17 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 127.748 2.419 . . . . 0.0 109.867 -170.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.04 -35.58 47.6 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 120.983 -1.073 . . . . 0.0 112.08 -176.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 44.5 p -63.12 -36.64 84.27 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.854 2.062 . . . . 0.0 113.568 173.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.81 -39.47 43.66 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.297 1.039 . . . . 0.0 112.155 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -68.35 -48.82 63.81 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.536 1.062 . . . . 0.0 110.809 175.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.21 -39.33 86.19 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.753 -0.592 . . . . 0.0 111.764 173.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -64.38 -47.2 86.88 Favored Glycine 0 CA--C 1.534 1.255 0 O-C-N 121.394 -0.816 . . . . 0.0 113.406 174.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.0 -41.44 97.49 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 121.42 -1.047 . . . . 0.0 112.41 177.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.484 HD13 HD12 ' A' ' 81' ' ' ILE . 0.4 OUTLIER -69.3 -35.05 75.61 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.437 -0.789 . . . . 0.0 111.903 174.342 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.03 91.65 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.257 -0.902 . . . . 0.0 111.263 174.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -63.99 -31.89 73.24 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 113.128 0.788 . . . . 0.0 113.128 171.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -65.13 -48.6 73.0 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.144 0.884 . . . . 0.0 111.5 175.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.89 -40.04 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 123.42 0.688 . . . . 0.0 112.171 175.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.13 -18.72 65.22 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.766 1.174 . . . . 0.0 113.591 173.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -67.09 -42.18 92.12 Favored Glycine 0 CA--C 1.534 1.259 0 C-N-CA 125.172 1.368 . . . . 0.0 113.343 176.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.5 t -79.17 -47.22 22.84 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 117.852 0.826 . . . . 0.0 111.04 174.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 80.47 155.15 10.94 Favored Glycine 0 CA--C 1.541 1.707 0 C-N-CA 124.984 1.278 . . . . 0.0 114.678 -179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.94 140.4 58.84 Favored 'General case' 0 CA--C 1.55 0.973 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -173.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.27 -37.4 2.88 Favored Glycine 0 CA--C 1.541 1.693 0 C-N-CA 127.063 2.268 . . . . 0.0 113.938 179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.78 176.84 0.83 Allowed 'General case' 0 CA--C 1.552 1.058 0 C-N-CA 125.69 1.596 . . . . 0.0 114.113 171.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 10.1 t -67.66 147.54 52.55 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.054 -1.029 . . . . 0.0 112.578 178.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.05 -35.78 67.3 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 123.542 0.737 . . . . 0.0 112.986 171.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.2 m -62.69 -25.1 67.99 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 175.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -73.47 -39.58 64.8 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.902 1.228 . . . . 0.0 111.748 174.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 12.1 m-30 -68.72 -49.0 62.41 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 124.26 1.024 . . . . 0.0 111.129 175.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.4 -34.21 74.97 Favored 'General case' 0 N--CA 1.447 -0.621 0 C-N-CA 124.494 1.118 . . . . 0.0 112.0 176.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -60.2 -46.65 89.02 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.992 0.815 . . . . 0.0 112.062 166.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.82 -35.39 78.07 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 118.885 0.766 . . . . 0.0 112.218 177.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.484 HD12 HD13 ' A' ' 61' ' ' LEU . 3.0 mm -73.82 -43.44 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 CA-C-N 118.877 0.762 . . . . 0.0 111.143 175.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.39 -32.78 73.64 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.992 0.917 . . . . 0.0 112.527 175.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -72.86 -44.84 60.88 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.413 1.485 . . . . 0.0 112.863 169.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -67.18 -43.12 82.99 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 120.212 1.369 . . . . 0.0 112.476 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.43 -42.88 70.97 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 123.588 0.755 . . . . 0.0 111.755 172.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -58.58 -50.38 67.65 Favored Glycine 0 CA--C 1.527 0.844 0 C-N-CA 124.235 0.922 . . . . 0.0 112.856 176.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -35.3 74.08 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 118.485 1.142 . . . . 0.0 111.747 175.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -64.18 -48.22 76.78 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.613 0.765 . . . . 0.0 111.117 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 48.8 mt -74.9 -31.3 61.53 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.816 0.846 . . . . 0.0 111.346 -179.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.91 -49.15 71.56 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.971 1.309 . . . . 0.0 112.764 171.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.6 t -65.4 -32.69 74.45 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 119.028 0.831 . . . . 0.0 112.05 176.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -74.43 -7.18 52.09 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 171.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 61.08 19.24 56.65 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.544 1.068 . . . . 0.0 114.426 -175.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 27.7 t -67.15 -24.98 32.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 125.372 1.469 . . . . 0.0 111.129 171.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 28.6 mt -94.23 124.48 38.27 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.745 1.218 . . . . 0.0 111.061 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -133.36 152.32 51.91 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.821 1.648 . . . . 0.0 110.114 -175.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -55.24 -17.93 5.29 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 114.676 1.362 . . . . 0.0 114.676 176.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 48.2 t -45.53 -52.24 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 127.184 2.193 . . . . 0.0 111.948 171.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -170.61 27.36 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.559 1.544 . . . . 0.0 113.851 -177.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -50.81 -37.33 42.05 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 120.338 -1.477 . . . . 0.0 113.12 175.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.27 -64.41 0.84 Allowed 'General case' 0 C--O 1.224 -0.251 0 C-N-CA 123.829 0.851 . . . . 0.0 110.268 170.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.1 m -63.25 -30.62 71.73 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -178.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 73.6 mt -62.99 -25.63 68.47 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 121.085 -1.009 . . . . 0.0 112.464 171.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.27 -38.78 91.24 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 123.707 0.67 . . . . 0.0 113.025 169.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 8.6 t -60.43 -37.71 81.76 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 122.229 -0.571 . . . . 0.0 111.802 172.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.38 -38.74 84.86 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.724 1.147 . . . . 0.0 112.816 176.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -68.59 -47.97 65.38 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.526 0.603 . . . . 0.0 111.312 174.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -61.86 -35.09 77.27 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 175.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -66.57 -38.65 87.53 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.106 0.962 . . . . 0.0 111.184 171.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.14 -47.88 82.6 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 118.971 0.805 . . . . 0.0 111.647 172.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 82.2 mt -59.0 -42.33 89.8 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.687 -0.633 . . . . 0.0 111.206 172.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.7 t -63.56 -43.82 95.93 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.543 1.137 . . . . 0.0 112.277 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -54.72 -51.47 65.49 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 123.818 0.847 . . . . 0.0 110.735 170.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.449 ' HB2' HG23 ' A' ' 41' ' ' ILE . 4.7 m -68.1 -34.28 76.1 Favored 'General case' 0 C--O 1.223 -0.335 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -74.91 -40.29 60.96 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 124.585 1.154 . . . . 0.0 112.153 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.98 -41.75 97.05 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.366 0.667 . . . . 0.0 110.954 168.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -69.36 -32.16 71.05 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 121.52 -0.737 . . . . 0.0 112.899 174.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.2 m -62.7 -34.47 77.21 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 120.084 -1.635 . . . . 0.0 112.392 171.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -76.22 -13.17 60.18 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 171.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.79 -29.04 45.04 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.133 0 CA-C-N 119.406 1.003 . . . . 0.0 113.064 178.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 74.2 m -140.56 -65.65 0.45 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.599 1.16 . . . . 0.0 112.198 -174.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 55.57 9.65 2.61 Favored Glycine 0 CA--C 1.541 1.709 0 C-N-CA 126.011 1.767 . . . . 0.0 116.76 -177.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 74.34 -3.06 2.64 Favored 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 127.786 2.434 . . . . 0.0 114.333 -165.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -90.43 -39.05 12.88 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.058 1.343 . . . . 0.0 112.173 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -130.01 16.52 5.68 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 125.758 1.623 . . . . 0.0 112.034 -176.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -62.54 -17.85 57.79 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 125.079 1.323 . . . . 0.0 115.553 -177.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 3.6 t -120.29 52.15 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.883 1.673 . . . . 0.0 109.425 177.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 2.5 t -152.87 155.68 37.54 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 125.117 1.367 . . . . 0.0 111.802 -179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -160.74 82.67 0.66 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.732 0.813 . . . . 0.0 112.374 -177.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 . . . . . 0 C--O 1.256 1.428 0 C-N-CA 126.625 1.97 . . . . 0.0 112.138 178.007 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 p . . . . . 0 CA--C 1.547 0.852 0 CA-C-O 122.253 1.025 . . . . 0.0 113.681 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -122.11 -171.98 2.36 Favored 'General case' 0 CA--C 1.55 0.976 0 C-N-CA 127.786 2.434 . . . . 0.0 110.994 -173.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 40.8 t -55.3 -33.43 63.26 Favored 'General case' 0 N--CA 1.483 1.216 0 O-C-N 120.216 -1.553 . . . . 0.0 113.077 173.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -67.03 -32.83 74.31 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.831 -1.168 . . . . 0.0 113.232 171.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.99 -45.49 70.47 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 121.369 -0.832 . . . . 0.0 111.067 174.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.429 ' CD2' ' HA2' ' A' ' 104' ' ' GLY . 14.5 t80 -50.2 -52.43 35.74 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.084 0.554 . . . . 0.0 110.438 168.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.29 -23.8 67.58 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -68.29 -54.41 17.73 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 120.632 1.56 . . . . 0.0 112.527 174.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.0 -39.55 79.24 Favored 'General case' 0 CA--C 1.535 0.367 0 O-C-N 121.764 -0.585 . . . . 0.0 111.749 176.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.76 94.28 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 117.972 -1.014 . . . . 0.0 111.97 174.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 m -56.85 -47.39 80.47 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 119.988 1.267 . . . . 0.0 112.151 172.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.6 t -64.2 -45.82 86.64 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 119.453 1.024 . . . . 0.0 112.135 178.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.3 t -62.58 -49.56 74.78 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.598 1.159 . . . . 0.0 113.013 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.414 HD22 ' HB1' ' A' ' 78' ' ' ALA . 0.8 OUTLIER -68.38 -36.73 79.59 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.249 1.02 . . . . 0.0 111.959 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.51 -31.1 71.62 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 118.898 0.772 . . . . 0.0 112.26 174.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.23 -22.53 66.33 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.019 1.327 . . . . 0.0 113.079 167.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 7.2 t -100.53 79.76 2.14 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.02 1.328 . . . . 0.0 111.726 -177.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.4 t -55.63 -26.8 46.18 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.993 -1.067 . . . . 0.0 113.198 176.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.06 -34.85 72.43 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.043 -1.036 . . . . 0.0 113.759 171.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 51.3 mt -64.11 -48.03 87.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 119.04 0.836 . . . . 0.0 110.428 171.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.1 t -59.98 -47.81 84.3 Favored 'General case' 0 N--CA 1.472 0.669 0 O-C-N 121.594 -0.691 . . . . 0.0 112.597 176.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -61.56 -39.31 90.65 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 118.007 -0.997 . . . . 0.0 112.65 175.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.07 -45.7 79.24 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.804 1.184 . . . . 0.0 112.356 173.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -73.02 -32.06 64.87 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 177.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.97 -26.79 61.49 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 112.738 0.644 . . . . 0.0 112.738 172.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.0 t -71.16 -42.49 69.04 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.671 1.189 . . . . 0.0 112.79 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.8 m -70.07 135.94 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 C-N-CA 123.718 0.807 . . . . 0.0 110.815 172.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.3 p -121.31 16.71 11.44 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.523 1.529 . . . . 0.0 112.435 -178.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 t -139.14 138.26 36.84 Favored 'General case' 0 C--O 1.235 0.295 0 C-N-CA 127.244 2.218 . . . . 0.0 108.583 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.26 -38.45 83.56 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 119.34 -0.362 . . . . 0.0 110.79 174.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -42.71 99.57 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.835 0.854 . . . . 0.0 112.63 172.087 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.84 -41.96 97.71 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.036 0.834 . . . . 0.0 111.896 176.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.84 -49.57 75.76 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.347 0.659 . . . . 0.0 111.773 172.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.6 m -55.5 -46.84 76.91 Favored 'General case' 0 C--O 1.224 -0.269 0 C-N-CA 124.902 1.281 . . . . 0.0 111.722 176.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.6 m -72.02 -34.05 68.53 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.263 1.209 . . . . 0.0 114.263 178.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.21 -52.35 65.18 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.062 -1.024 . . . . 0.0 109.577 169.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.565 ' HB1' HD11 ' A' ' 61' ' ' LEU . . . -66.47 -27.51 67.85 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.327 0.651 . . . . 0.0 112.52 178.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -62.94 -49.55 74.31 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.887 1.275 . . . . 0.0 111.171 167.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -61.34 -47.87 83.9 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 120.279 1.4 . . . . 0.0 112.747 175.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.6 mt -57.3 -44.79 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.318 1.047 . . . . 0.0 111.134 174.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -70.51 -37.98 69.04 Favored Glycine 0 C--O 1.222 -0.61 0 C-N-CA 126.035 1.779 . . . . 0.0 114.193 -179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 26.7 mt -62.66 -45.5 92.52 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 119.143 1.471 . . . . 0.0 110.955 172.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 t -64.74 -46.41 82.34 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 122.847 0.459 . . . . 0.0 111.736 176.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.46 -47.92 82.43 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.652 -0.655 . . . . 0.0 111.757 172.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.65 -42.86 97.81 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.619 1.168 . . . . 0.0 113.405 178.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -62.18 -41.43 98.32 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.564 0.746 . . . . 0.0 112.546 172.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.8 m -65.86 -37.69 86.85 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.2 mt -79.44 -14.18 59.09 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.424 1.49 . . . . 0.0 113.41 176.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.08 29.49 45.93 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 125.217 1.389 . . . . 0.0 114.681 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 31.6 mm -65.5 130.84 31.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 125.537 1.535 . . . . 0.0 110.876 -178.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -75.73 14.84 0.58 Allowed 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -177.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.46 ' HB3' ' HB3' ' A' ' 56' ' ' ALA . 0.5 OUTLIER -174.17 63.78 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 128.544 2.737 . . . . 0.0 108.506 -175.122 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 48.4 p-10 -49.03 -44.3 41.33 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.298 -0.877 . . . . 0.0 112.471 173.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.8 t -53.93 -38.99 65.46 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.446 1.498 . . . . 0.0 113.836 172.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.46 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -78.48 -41.5 32.41 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 121.223 -0.923 . . . . 0.0 112.475 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.435 HD23 ' C ' ' A' ' 57' ' ' LEU . 7.1 tt -59.9 -56.49 21.15 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.339 0.972 . . . . 0.0 109.721 171.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.65 -38.65 81.98 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.892 0.877 . . . . 0.0 111.6 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -68.17 -43.53 80.12 Favored Glycine 0 CA--C 1.532 1.124 0 C-N-CA 124.552 1.072 . . . . 0.0 113.445 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.86 97.8 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 118.765 1.282 . . . . 0.0 112.263 174.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.565 HD11 ' HB1' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -67.33 -41.58 85.04 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.739 1.216 . . . . 0.0 111.619 173.482 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.12 -45.73 90.16 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.165 0.986 . . . . 0.0 111.408 173.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.9 mm-40 -59.04 -36.89 75.79 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.936 0.894 . . . . 0.0 112.627 173.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.96 -49.04 71.87 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.319 0.648 . . . . 0.0 111.763 173.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.7 t -57.29 -46.46 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.906 1.282 . . . . 0.0 112.261 175.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.66 -13.5 51.49 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.43 1.014 . . . . 0.0 114.787 171.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -69.29 -35.96 77.86 Favored Glycine 0 CA--C 1.534 1.245 0 C-N-CA 125.648 1.594 . . . . 0.0 113.645 177.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 97.1 t -76.6 -48.88 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-N 117.933 0.867 . . . . 0.0 111.05 173.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.92 166.3 42.06 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 124.713 1.149 . . . . 0.0 114.173 -177.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.38 148.46 37.15 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.473 1.109 . . . . 0.0 113.778 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 73.7 54.95 6.24 Favored Glycine 0 CA--C 1.533 1.186 0 C-N-CA 123.696 0.665 . . . . 0.0 113.068 177.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -139.35 171.62 14.01 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.407 1.483 . . . . 0.0 112.228 -177.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.3 t -63.2 146.47 53.3 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.429 0.691 . . . . 0.0 112.06 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.63 -39.98 86.1 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.707 -0.62 . . . . 0.0 111.979 171.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.5 m -61.64 -33.16 73.45 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-O 117.633 -1.175 . . . . 0.0 112.635 172.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -66.11 -49.4 67.66 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 121.258 1.845 . . . . 0.0 111.948 176.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -59.1 -47.21 86.08 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.031 0.532 . . . . 0.0 112.185 173.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.414 ' HB1' HD22 ' A' ' 15' ' ' LEU . . . -69.59 -27.8 65.41 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.884 1.068 . . . . 0.0 113.884 178.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -62.23 -47.7 83.25 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.376 1.071 . . . . 0.0 109.559 169.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.15 -38.08 85.14 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 118.583 0.629 . . . . 0.0 112.122 176.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 80.9 mt -68.49 -48.68 71.26 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 124.045 0.938 . . . . 0.0 111.939 174.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.08 -37.48 87.66 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.921 0.888 . . . . 0.0 112.057 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -67.68 -40.3 84.43 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.849 1.26 . . . . 0.0 112.659 170.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.8 -47.78 61.55 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 120.356 1.434 . . . . 0.0 111.943 177.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.7 92.39 Favored 'General case' 0 CA--C 1.546 0.825 0 O-C-N 121.289 -0.882 . . . . 0.0 111.472 173.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.15 -51.95 53.21 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 124.462 1.029 . . . . 0.0 113.612 172.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -61.8 -36.47 81.22 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.513 1.657 . . . . 0.0 111.695 178.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -64.5 -47.22 79.72 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.33 0.652 . . . . 0.0 110.68 176.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.2 mt -69.5 -23.26 63.6 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 120.95 -1.094 . . . . 0.0 113.733 174.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.32 -47.85 63.24 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 119.461 1.028 . . . . 0.0 111.323 171.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 65.0 p -70.13 -29.9 66.94 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.597 0.759 . . . . 0.0 113.0 177.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -76.4 -5.91 49.36 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 168.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 62.54 24.89 66.49 Favored Glycine 0 CA--C 1.538 1.53 0 CA-C-N 119.509 1.05 . . . . 0.0 114.276 -177.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 35.1 t -79.02 -27.63 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 125.299 1.44 . . . . 0.0 111.474 174.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 95.3 mt -77.91 110.55 12.91 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.523 -0.735 . . . . 0.0 110.853 174.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -133.5 164.08 27.95 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.684 1.594 . . . . 0.0 111.214 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.18 -14.16 6.44 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 168.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 41.3 t -52.28 -49.75 40.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.916 1.687 . . . . 0.0 111.421 172.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 173.0 45.6 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 126.862 2.065 . . . . 0.0 113.641 -175.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.94 -33.4 66.97 Favored 'General case' 0 N--CA 1.475 0.813 0 O-C-N 119.373 -2.08 . . . . 0.0 114.609 177.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.1 t -68.58 -60.23 2.57 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 118.81 0.732 . . . . 0.0 111.083 167.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.42 -35.35 73.83 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 -175.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.28 -28.81 66.61 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.05 -1.031 . . . . 0.0 112.712 171.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.429 ' HA2' ' CD2' ' A' ' 7' ' ' PHE . . . -61.46 -35.06 90.49 Favored Glycine 0 CA--C 1.524 0.618 0 O-C-N 121.604 -0.685 . . . . 0.0 112.438 172.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.6 -39.47 91.33 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 117.463 0.632 . . . . 0.0 112.474 167.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -63.44 -43.6 96.92 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 119.509 1.049 . . . . 0.0 112.701 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.6 tt -70.17 -40.52 74.64 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.591 -0.693 . . . . 0.0 111.67 173.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -60.26 -36.15 77.12 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 120.707 -1.246 . . . . 0.0 112.861 173.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 16.9 m-80 -67.37 -32.01 72.64 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-O 118.39 -0.814 . . . . 0.0 112.64 169.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.8 -43.4 88.83 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 120.143 1.338 . . . . 0.0 112.161 170.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 67.5 mt -66.73 -39.98 88.18 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.426 -0.796 . . . . 0.0 111.737 174.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 23.1 t -62.68 -42.63 99.73 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.604 1.162 . . . . 0.0 112.193 172.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -56.42 -52.38 64.87 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 118.6 -0.714 . . . . 0.0 110.477 170.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 39.2 m -62.85 -38.95 92.84 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 119.372 0.987 . . . . 0.0 113.519 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -71.73 -45.4 61.87 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.5 1.12 . . . . 0.0 112.683 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -66.58 -39.18 88.32 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.786 0.835 . . . . 0.0 111.534 173.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -62.69 -27.86 69.54 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.478 1.111 . . . . 0.0 112.707 168.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.07 -30.33 67.98 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 120.299 1.409 . . . . 0.0 111.841 177.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -62.83 -13.97 39.99 Favored 'General case' 0 CA--C 1.549 0.931 0 N-CA-C 115.255 1.576 . . . . 0.0 115.255 170.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 49.1 t -59.45 -44.95 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 CA-C-N 119.853 1.206 . . . . 0.0 111.342 171.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 63.0 m -66.24 -25.83 67.08 Favored 'General case' 0 N--CA 1.471 0.583 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 177.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 50.33 44.26 44.29 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 124.911 1.243 . . . . 0.0 113.048 -179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -153.07 -36.46 0.11 Allowed 'General case' 0 N--CA 1.471 0.588 0 O-C-N 121.595 -0.944 . . . . 0.0 112.933 -173.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -57.03 -31.01 64.72 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.942 0.897 . . . . 0.0 113.053 173.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -80.98 26.1 0.44 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 125.911 1.684 . . . . 0.0 113.338 176.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 90.09 -48.84 3.24 Favored Glycine 0 CA--C 1.535 1.282 0 C-N-CA 126.125 1.821 . . . . 0.0 112.578 -176.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 4.5 p -163.78 164.66 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 125.586 1.554 . . . . 0.0 111.735 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.0 110.14 2.37 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.447 1.099 . . . . 0.0 111.963 177.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -157.5 59.01 0.5 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.284 1.034 . . . . 0.0 112.649 177.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 125.516 1.526 . . . . 0.0 112.369 172.589 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.427 ' HB3' ' HB3' ' A' ' 6' ' ' ALA . 0.1 OUTLIER -164.52 62.26 0.14 Allowed 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.45 -0.781 . . . . 0.0 112.003 -176.794 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.8 p -55.95 -34.99 66.19 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 120.519 -1.363 . . . . 0.0 113.091 179.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.1 m -63.81 -45.15 90.96 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.138 0.975 . . . . 0.0 112.635 174.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.427 ' HB3' ' HB3' ' A' ' 3' ' ' TYR . . . -72.37 -41.01 66.85 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.337 0.655 . . . . 0.0 111.74 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -56.83 -49.49 75.24 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.401 1.08 . . . . 0.0 110.412 171.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.28 -25.56 66.92 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-O 117.797 -1.097 . . . . 0.0 113.619 173.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -67.73 -52.34 38.65 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 121.204 1.82 . . . . 0.0 111.967 172.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.05 -41.39 82.12 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.36 0.982 . . . . 0.0 111.922 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.56 -51.56 68.89 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 118.427 -0.797 . . . . 0.0 110.755 175.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.3 t -57.55 -40.61 79.26 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 119.683 1.129 . . . . 0.0 112.182 173.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.5 t -56.65 -48.55 77.31 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 119.623 1.102 . . . . 0.0 111.863 176.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.1 m -72.05 -45.07 62.18 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 175.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.5 mt -62.62 -39.94 95.42 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.816 1.646 . . . . 0.0 112.359 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.11 -32.0 71.99 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.012 1.325 . . . . 0.0 112.735 173.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.65 -28.85 58.91 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 125.192 1.397 . . . . 0.0 112.309 170.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.3 t -86.17 77.76 9.51 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 125.461 1.504 . . . . 0.0 111.301 -174.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.2 m -53.34 -26.01 17.4 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 124.096 0.958 . . . . 0.0 113.572 176.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.1 -30.95 69.6 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 171.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 25.6 mm -76.61 -52.06 17.99 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 C-N-CA 125.157 1.383 . . . . 0.0 110.054 173.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.7 m -56.82 -43.3 80.88 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.075 0.95 . . . . 0.0 112.068 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -36.13 72.22 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-O 117.76 -1.114 . . . . 0.0 112.336 175.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.67 -37.77 87.72 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 120.09 1.314 . . . . 0.0 111.595 175.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -68.03 -49.71 59.83 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.89 -0.506 . . . . 0.0 112.338 168.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.04 -18.49 63.4 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 120.143 1.338 . . . . 0.0 114.144 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.2 t -63.27 -23.43 67.42 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.051 1.74 . . . . 0.0 113.195 171.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.513 HG21 ' HB2' ' A' ' 34' ' ' ALA . 1.3 m -89.54 162.12 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.617 0 C-N-CA 123.849 0.859 . . . . 0.0 112.001 177.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.0 m -124.03 4.16 8.65 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.938 1.295 . . . . 0.0 113.677 173.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.2 t -148.09 148.89 31.13 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.249 1.02 . . . . 0.0 111.96 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.23 -28.35 69.3 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.943 -0.473 . . . . 0.0 111.649 -178.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -30.05 70.91 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 126.33 1.852 . . . . 0.0 113.19 172.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.11 -41.6 20.28 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 121.255 -0.903 . . . . 0.0 111.252 176.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.513 ' HB2' HG21 ' A' ' 28' ' ' VAL . . . -64.69 -38.92 92.65 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 118.387 -0.816 . . . . 0.0 111.558 170.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 59.9 p -65.14 -42.14 94.13 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 120.065 1.302 . . . . 0.0 110.844 179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.7 t -61.45 -41.62 97.49 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.649 0.78 . . . . 0.0 112.592 171.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 mt -63.25 -52.85 60.43 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 119.239 0.927 . . . . 0.0 111.935 174.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.92 -34.08 69.48 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.404 1.482 . . . . 0.0 112.221 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -66.86 -53.85 28.28 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.951 0.901 . . . . 0.0 110.993 169.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -58.94 -47.94 83.26 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.473 1.509 . . . . 0.0 113.452 -177.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 pt -71.99 -25.78 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 124.721 1.208 . . . . 0.0 111.526 172.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -61.04 -41.78 99.57 Favored Glycine 0 C--N 1.335 0.528 0 C-N-CA 126.277 1.894 . . . . 0.0 112.687 172.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -57.87 -48.33 80.15 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 119.344 1.572 . . . . 0.0 110.887 169.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 71.3 m -62.69 -41.48 99.13 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 119.504 1.047 . . . . 0.0 113.118 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.61 -46.7 75.03 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.456 -0.777 . . . . 0.0 111.646 175.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.98 92.53 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.772 1.229 . . . . 0.0 112.138 177.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.3 mmm180 -62.53 -46.97 85.94 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.075 1.35 . . . . 0.0 112.257 172.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 38.3 m -61.17 -30.29 70.31 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.8 mt -95.97 6.71 48.23 Favored 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 125.526 1.531 . . . . 0.0 113.187 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 54.48 34.1 54.58 Favored Glycine 0 CA--C 1.537 1.463 0 C-N-CA 125.988 1.756 . . . . 0.0 115.355 178.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.429 HG22 ' H ' ' A' ' 53' ' ' SER . 50.3 mm -60.04 136.72 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 125.326 1.45 . . . . 0.0 111.233 -177.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.27 14.88 3.23 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.025 1.33 . . . . 0.0 114.167 -177.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.429 ' H ' HG22 ' A' ' 51' ' ' ILE . 0.1 OUTLIER -170.93 58.86 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 127.384 2.273 . . . . 0.0 109.466 -173.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -52.79 -35.71 57.08 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 120.908 -1.12 . . . . 0.0 111.789 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.1 t -55.81 -44.96 78.34 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 125.927 1.691 . . . . 0.0 113.684 172.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.85 -40.54 63.21 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.319 -0.863 . . . . 0.0 111.537 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.49 -42.35 68.18 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 118.679 -0.677 . . . . 0.0 111.694 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.01 -41.21 67.73 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.806 1.243 . . . . 0.0 111.806 168.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -63.99 -34.06 88.93 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 124.768 1.175 . . . . 0.0 114.017 172.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -63.81 -45.56 89.07 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.268 1.534 . . . . 0.0 111.942 175.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -69.24 -37.81 78.16 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.438 -0.789 . . . . 0.0 110.466 177.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.57 -43.0 99.66 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.886 0.875 . . . . 0.0 113.024 174.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -64.36 -37.0 85.97 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.947 1.299 . . . . 0.0 112.772 173.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -66.44 -52.52 45.54 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.803 0.841 . . . . 0.0 112.391 177.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.8 t -58.99 -48.61 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 C-N-CA 126.076 1.75 . . . . 0.0 111.813 175.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.85 -5.61 47.17 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 124.912 1.244 . . . . 0.0 114.279 173.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.44 -42.5 4.23 Favored Glycine 0 CA--C 1.531 1.05 0 C-N-CA 125.78 1.657 . . . . 0.0 112.351 178.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 72.1 t -72.16 -49.56 42.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 117.914 0.857 . . . . 0.0 111.489 172.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.55 166.99 28.6 Favored Glycine 0 CA--C 1.538 1.481 0 C-N-CA 124.683 1.135 . . . . 0.0 114.362 -177.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -76.91 157.76 31.15 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -176.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 72.75 -1.74 36.37 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 124.855 1.216 . . . . 0.0 114.371 -173.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.96 164.38 20.07 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.885 1.274 . . . . 0.0 112.454 173.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 11.9 t -66.64 148.91 51.25 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.02 0.528 . . . . 0.0 112.175 177.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -60.7 -28.44 68.64 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 170.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.9 m -66.11 -36.39 83.04 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.307 0.958 . . . . 0.0 112.387 171.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -68.48 -42.79 78.2 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 118.668 0.667 . . . . 0.0 111.433 174.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -63.45 -47.42 81.93 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.708 0.686 . . . . 0.0 112.537 171.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.12 -47.06 84.43 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.887 0.875 . . . . 0.0 111.664 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -62.74 -46.7 86.85 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-N 119.459 1.027 . . . . 0.0 111.959 172.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -58.09 -50.77 72.33 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 120.072 1.306 . . . . 0.0 111.107 -179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 75.8 mt -65.45 -46.16 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 124.404 1.081 . . . . 0.0 110.715 179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.3 -26.99 66.8 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.255 0.934 . . . . 0.0 113.247 177.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 54.0 mtt180 -76.05 -39.0 56.47 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.373 1.069 . . . . 0.0 112.182 168.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.76 -50.46 35.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 121.037 1.744 . . . . 0.0 111.423 176.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.13 -43.81 92.02 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.836 1.254 . . . . 0.0 111.97 170.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -66.07 -44.46 91.31 Favored Glycine 0 CA--C 1.526 0.738 0 CA-C-O 118.989 -0.895 . . . . 0.0 113.007 178.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -62.5 -39.9 94.99 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 119.246 1.523 . . . . 0.0 111.715 171.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -64.06 -50.91 66.5 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 119.032 0.833 . . . . 0.0 111.047 177.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 39.6 mt -67.46 -29.09 68.45 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 120.468 -1.395 . . . . 0.0 112.767 177.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.33 -48.27 78.69 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.997 0.919 . . . . 0.0 112.398 169.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 53.1 p -69.65 -29.11 66.51 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 119.108 0.867 . . . . 0.0 113.035 176.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 73.6 mm-40 -72.23 -8.15 53.21 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 168.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 63.59 17.02 59.54 Favored Glycine 0 CA--C 1.538 1.477 0 O-C-N 121.029 -1.045 . . . . 0.0 114.119 -174.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 7.3 t -67.96 -27.61 38.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 124.935 1.294 . . . . 0.0 110.866 171.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.4 mt -92.17 133.08 36.12 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.223 1.009 . . . . 0.0 111.097 176.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -141.89 153.1 44.18 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.996 1.718 . . . . 0.0 109.775 -177.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -58.5 -14.04 7.0 Favored 'General case' 0 CA--C 1.551 1.009 0 N-CA-C 114.559 1.318 . . . . 0.0 114.559 174.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 49.6 t -48.67 -52.77 8.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 126.711 2.004 . . . . 0.0 111.938 170.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -172.66 30.0 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.552 1.541 . . . . 0.0 113.958 -176.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -50.68 -35.32 30.35 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 120.31 -1.494 . . . . 0.0 113.402 174.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 5.3 t -54.93 -64.01 0.97 Allowed 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 122.905 0.482 . . . . 0.0 110.928 170.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 44.2 m -60.32 -31.98 70.8 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 178.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 81.3 mt -62.96 -25.72 68.49 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 119.474 1.033 . . . . 0.0 112.885 171.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -58.07 -44.01 94.89 Favored Glycine 0 N--CA 1.466 0.694 0 C-N-CA 124.067 0.841 . . . . 0.0 112.986 169.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -36.35 82.54 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 172.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.21 -41.84 98.75 Favored 'General case' 0 CA--C 1.547 0.86 0 CA-C-N 119.042 0.837 . . . . 0.0 112.632 176.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.1 tt -70.8 -35.79 72.69 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.32 -0.863 . . . . 0.0 112.962 173.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -65.03 -36.26 83.81 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.139 -0.976 . . . . 0.0 112.687 173.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -64.54 -36.44 84.23 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 118.652 0.66 . . . . 0.0 111.459 169.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.77 -52.89 63.16 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.612 0.642 . . . . 0.0 111.243 172.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 68.1 mt -59.16 -35.64 73.88 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.132 0.878 . . . . 0.0 112.903 173.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.3 t -59.26 -49.73 76.7 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.099 0.96 . . . . 0.0 111.939 172.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -42.13 93.38 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 122.979 0.512 . . . . 0.0 112.23 171.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 20.1 m -65.73 -42.6 90.81 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -75.26 -34.72 61.4 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.163 0.985 . . . . 0.0 112.671 176.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.81 -38.05 89.67 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.377 -0.827 . . . . 0.0 111.135 168.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -64.13 -27.1 68.85 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.688 1.195 . . . . 0.0 113.211 170.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 37.7 m -56.06 -32.08 63.75 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 121.318 1.872 . . . . 0.0 112.581 173.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.14 -12.12 36.89 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 115.025 1.491 . . . . 0.0 115.025 172.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 45.5 t -61.29 -44.06 97.71 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 CA-C-N 119.91 1.232 . . . . 0.0 111.447 170.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 50.7 m -66.71 -24.85 66.3 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.079 0.552 . . . . 0.0 112.318 175.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 45.83 42.44 11.21 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 125.764 1.65 . . . . 0.0 113.107 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -146.29 -42.65 0.2 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.296 1.839 . . . . 0.0 111.541 -171.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -53.78 -29.51 40.51 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.897 1.279 . . . . 0.0 113.705 176.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.97 14.36 2.28 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.073 1.349 . . . . 0.0 113.744 179.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 60.43 53.26 47.03 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 124.693 1.139 . . . . 0.0 111.605 -174.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.9 p -45.61 109.11 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 C-N-CA 125.577 1.551 . . . . 0.0 112.721 -174.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' SER . . . . . . . . . . . . . 16.6 m -150.76 149.99 30.45 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 125.062 1.345 . . . . 0.0 110.733 -172.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -65.85 119.12 10.7 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.657 1.183 . . . . 0.0 111.494 174.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.252 1.221 0 C-N-CA 126.045 1.738 . . . . 0.0 112.344 177.128 . . . . . . . . 0 0 . 1 stop_ save_